2-(4-methylphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(4-methylphenyl)-5-oxidanylidene-1-(pyridin-1-ium-3-ylmethyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 5-oxo-2-(p-tolyl)-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(4-methylphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-1-(3-pyridin-1-iumylmethyl)-2H-pyrrol-4-olate IUPAC Name: 2-(4-methylphenyl)-5-oxo-1-(pyridin-1-ium-3-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 2-keto-5-(p-tolyl)-1-(pyridin-1-ium-3-ylmethyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC3=C[NH+]=CC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N2O3S/c1-14-6-8-16(9-7-14)19-18(20(25)17-5-3-11-28-17)21(26)22(27)24(19)13-15-4-2-10-23-12-15/h2-12,19,26H,13H2,1H3