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

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxy-phenyl)-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxy-phenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxyphenyl)-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-(3-methoxy-4-propoxyphenyl)-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-5-(3-methoxy-4-propoxy-phenyl)-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4)OC

InChI

InChI=1S/C25H27N3O5S/c1-3-13-33-18-8-7-17(15-19(18)32-2)22-21(23(29)20-6-4-14-34-20)24(30)25(31)28(22)11-5-10-27-12-9-26-16-27/h4,6-9,12,14-16,22H,3,5,10-11,13H2,1-2H3,(H,29,30)