CHEBI:131489 - N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+)
ChEBI ID CHEBI:131489
ChEBI ASCII Name N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+)
Definition An organic cation obtained by protonation of the isoquinoline and secondary amino functions of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C20H22BrN3O2S
Net Charge +2
Average Mass 448.380
Monoisotopic Mass 447.06051
InChI InChI=1S/C20H20BrN3O2S/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20/h1-10,12,15,22,24H,11,13-14H2/p+2
InChIKey ZKZXNDJNWUTGDK-UHFFFAOYSA-P
SMILES [H]C(C[NH2+]CCNS(=O)(=O)C1=CC=CC2=C1C=C[NH+]=C2)=C([H])C1=CC=C(Br)C=C1
ChEBI Ontology
Outgoing N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) (CHEBI:131489) is a ammonium ion derivative (CHEBI:35274)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) (CHEBI:131489) is a organic cation (CHEBI:25697)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) (CHEBI:131489) is conjugate acid of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide (CHEBI:47495)
Incoming N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride (CHEBI:131488) has part N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) (CHEBI:131489)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide (CHEBI:47495) is conjugate base of N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) (CHEBI:131489)
IUPAC Name
5-[(2-{[3-(4-bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium
Last Modified
05 October 2020