1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methylphenyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-2-(4-methylphenyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-2-(p-tolyl)-2H-pyrrol-5-one CAS Name: 4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2-(4-methylphenyl)-2H-pyrrol-5-one IUPAC Name: 4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-2-(4-methylphenyl)-2H-pyrrol-5-one Traditional Name: 3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(7-methoxybenzofuran-2-carbonyl)-5-(p-tolyl)-3-pyrrolin-2-one Formula: C27H26N3O5+ MolecularWeight: 472.51244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC5=C(O4)C(=CC=C5)OC

InChI

InChI=1S/C27H25N3O5/c1-17-7-9-18(10-8-17)23-22(24(31)21-15-19-5-3-6-20(34-2)26(19)35-21)25(32)27(33)30(23)13-4-12-29-14-11-28-16-29/h3,5-11,14-16,23H,4,12-13H2,1-2H3,(H,31,32)/p+1