CHEBI:103903 - 4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester

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ChEBI Name 4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester ChEBI ID CHEBI:103903 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C23H25N2O3S Net Charge +1 Average Mass 409.523 Monoisotopic Mass 409.15804 InChI InChI=1S/C23H24N2O3S/c1-4-28-23(27)21-16(2)17(3)29-22(21)24-20(26)15-25-12-10-19(11-13-25)14-18-8-6-5-7-9-18/h5-13H,4,14-15H2,1-3H3/p+1 InChIKey YBDWDRXHWHCSJW-UHFFFAOYSA-O SMILES CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C[N+]2=CC=C(C=C2)CC3=CC=CC=C3 Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 4,5-dimethyl-2-[[1-oxo-2-[4-(phenylmethyl)-1-pyridin-1-iumyl]ethyl]amino]-3-thiophenecarboxylic acid ethyl ester (CHEBI:103903) is a thiophenecarboxylic acid (CHEBI:48436) Manual Xref Database LSM-15256 LINCS View more database links