ethyl 2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C23H26N3O3S+ MolecularWeight: 424.53584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C23H25N3O3S/c1-5-29-23(28)21-19(17-8-6-16(2)7-9-17)15-30-22(21)24-20(27)14-26-12-10-18(11-13-26)25(3)4/h6-13,15H,5,14H2,1-4H3/p+1