methyl 4,5-dimethyl-2-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(4-benzoyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzoylpyridin-1-ium-1-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C22H21N2O4S+ MolecularWeight: 409.47814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C[N+]2=CC=C(C=C2)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H20N2O4S/c1-14-15(2)29-21(19(14)22(27)28-3)23-18(25)13-24-11-9-17(10-12-24)20(26)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3/p+1