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

Systemtic Name: 2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxidanylidene-3-thiophen-2-ylcarbonyl-2H-pyrrol-4-olate Openeye Name: 2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate CAS Name: 2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-[oxo(thiophen-2-yl)methyl]-2H-pyrrol-4-olate IUPAC Name: 2-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-oxo-3-(thiophene-2-carbonyl)-2H-pyrrol-4-olate Traditional Name: 5-(2,5-dimethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(2-thenoyl)-3-pyrrolin-3-olate Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C23H23N3O5S/c1-30-15-6-7-17(31-2)16(13-15)20-19(21(27)18-5-3-12-32-18)22(28)23(29)26(20)10-4-9-25-11-8-24-14-25/h3,5-8,11-14,20H,4,9-10H2,1-2H3,(H,27,28)