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

Systemtic Name: ethyl 2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H23N2O4S+ MolecularWeight: 375.46192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O4S/c1-6-25-19(24)16-12(3)17(14(5)22)26-18(16)20-15(23)10-21-9-7-8-11(2)13(21)4/h7-9H,6,10H2,1-5H3/p+1