ethyl 4-(4-methylphenyl)-2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-[2-(4-methylpyridin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-methylpyridin-1-ium-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H23N2O3S+ MolecularWeight: 395.49462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[N+]3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C[N+]3=CC=C(C=C3)C

InChI

InChI=1S/C22H22N2O3S/c1-4-27-22(26)20-18(17-7-5-15(2)6-8-17)14-28-21(20)23-19(25)13-24-11-9-16(3)10-12-24/h5-12,14H,4,13H2,1-3H3/p+1