2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate

Systemtic Name: 2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(4-chlorophenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)CCC[N+]4=CNC=C4)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)C2=C(C(=O)N(C2C3=CC=C(C=C3)Cl)CCC[N+]4=CNC=C4)[O-]

InChI

InChI=1S/C21H18ClN3O3S/c22-15-6-4-14(5-7-15)18-17(19(26)16-3-1-12-29-16)20(27)21(28)25(18)10-2-9-24-11-8-23-13-24/h1,3-8,11-13,18H,2,9-10H2,(H,26,27)