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

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-2-(4-propan-2-yloxyphenyl)-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(4-isopropoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2-(4-propan-2-yloxyphenyl)-2H-pyrrol-4-olate IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-2-(4-propan-2-yloxyphenyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-(4-isopropoxyphenyl)-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C24H25N3O4S MolecularWeight: 451.538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C24H25N3O4S/c1-16(2)31-18-8-6-17(7-9-18)21-20(22(28)19-5-3-14-32-19)23(29)24(30)27(21)12-4-11-26-13-10-25-15-26/h3,5-10,13-16,21H,4,11-12H2,1-2H3,(H,28,29)