ethyl 2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(dimethylamino)-1-pyridin-1-iumyl]-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetyl]amino]-5-methyl-4-phenyl-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=CC=C2)C)NC(=O)C[N+]3=CC=C(C=C3)N(C)C

Isomeric SMILES

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

InChI

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