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

Systemtic Name: ethyl 2-[2-(2,3-dimethylpyridin-1-ium-1-yl)ethanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(2,3-dimethyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(2,3-dimethylpyridin-1-ium-1-yl)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H25N2O3S+ MolecularWeight: 409.5212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[N+]3=CC=CC(=C3C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)C[N+]3=CC=CC(=C3C)C

InChI

InChI=1S/C23H24N2O3S/c1-5-28-23(27)21-20(18-11-7-6-8-12-18)17(4)29-22(21)24-19(26)14-25-13-9-10-15(2)16(25)3/h6-13H,5,14H2,1-4H3/p+1