ethyl 5-aminocarbonyl-2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-aminocarbonyl-2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-carbamoyl-2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-carbamoyl-2-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-carbamoyl-2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-carbamoyl-2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-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)N)NC(=O)C[N+]2=CC=CC(=C2C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)N)NC(=O)C[N+]2=CC=CC(=C2C)C

InChI

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