5-[(4-chlorophenyl)amino]-3-(4-methylphenyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxylate

Systemtic Name: 5-[(4-chlorophenyl)amino]-3-(4-methylphenyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxylate Openeye Name: 5-(4-chloroanilino)-3-(p-tolyl)-4-pyridin-1-ium-1-yl-thiophene-2-carboxylate CAS Name: 5-(4-chloroanilino)-3-(4-methylphenyl)-4-(1-pyridin-1-iumyl)-2-thiophenecarboxylate IUPAC Name: 5-(4-chloroanilino)-3-(4-methylphenyl)-4-pyridin-1-ium-1-ylthiophene-2-carboxylate Traditional Name: 5-(4-chloroanilino)-3-(p-tolyl)-4-pyridin-1-ium-1-yl-2-thenoate Formula: C23H17ClN2O2S MolecularWeight: 420.91128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2[N+]3=CC=CC=C3)NC4=CC=C(C=C4)Cl)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2[N+]3=CC=CC=C3)NC4=CC=C(C=C4)Cl)C(=O)[O-]

InChI

InChI=1S/C23H17ClN2O2S/c1-15-5-7-16(8-6-15)19-20(26-13-3-2-4-14-26)22(29-21(19)23(27)28)25-18-11-9-17(24)10-12-18/h2-14,25H,1H3