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

Systemtic Name: methyl 4,5-dimethyl-2-[2-(3-phenylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[1-oxo-2-(3-phenyl-1-pyridin-1-iumyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[2-(3-phenylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H21N2O3S+ MolecularWeight: 381.46804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-14-15(2)27-20(19(14)21(25)26-3)22-18(24)13-23-11-7-10-17(12-23)16-8-5-4-6-9-16/h4-12H,13H2,1-3H3/p+1