ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H22N3O4S+ MolecularWeight: 376.44998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[N+]2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)C[N+]2=CC=C(C=C2)C

InChI

InChI=1S/C18H21N3O4S/c1-5-25-18(24)14-12(3)15(16(23)19-4)26-17(14)20-13(22)10-21-8-6-11(2)7-9-21/h6-9H,5,10H2,1-4H3,(H-,19,20,22,23,24)/p+1