CHEBI:41362 - N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid

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ChEBI Name N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid
ChEBI ID CHEBI:41362
ChEBI ASCII Name N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid
Definition A quaternary ammonium ion resulting from the addition of a methyl group to the tertiary amino group of 3-[dodecyl(methyl)amino]propane-1-sulfonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C17H38NO3S
Net Charge +1
Average Mass 336.550
Monoisotopic Mass 336.25669
InChI InChI=1S/C17H37NO3S/c1-4-5-6-7-8-9-10-11-12-13-15-18(2,3)16-14-17-22(19,20)21/h4-17H2,1-3H3/p+1
InChIKey IZWSFJTYBVKZNK-UHFFFAOYSA-O
SMILES CCCCCCCCCCCC[N+](C)(C)CCCS(O)(=O)=O
ChEBI Ontology
Outgoing N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid (CHEBI:41362) is a quaternary ammonium ion (CHEBI:35267)
N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid (CHEBI:41362) is conjugate acid of lauryl sulfobetaine (CHEBI:75303)
Incoming lauryl sulfobetaine (CHEBI:75303) is conjugate base of N-dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonic acid (CHEBI:41362)
IUPAC Name
N,N-dimethyl-N-(3-sulfopropyl)dodecan-1-aminium
Synonyms Sources
3-(dodecyldimethylammonio)propanesulfonic acid ChEBI
3-(lauryldimethylammonio)propanesulfonic acid ChEBI
3-(N,N-dimethyldodecylammonio)propanesulfonic acid ChEBI
3-(N,N-dimethyllaurylammonio)propanesulfonic acid ChEBI
N,N-dimethyl-N-(3-sulfopropyl)-1-dodecanaminium ChEBI
Manual Xrefs Databases
76414 ChemSpider
C15 PDBeChem
DB02643 DrugBank
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Last Modified
17 May 2021