1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate

Systemtic Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxidanylidene-2-phenyl-2H-pyrrol-4-olate Openeye Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate CAS Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-5-oxo-2-phenyl-2H-pyrrol-4-olate IUPAC Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-5-oxo-2-phenyl-2H-pyrrol-4-olate Traditional Name: 1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2-keto-4-(7-methoxybenzofuran-2-carbonyl)-5-phenyl-3-pyrrolin-3-olate Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=CC=C4)CCC[N+]5=CNC=C5)[O-]

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)C3=C(C(=O)N(C3C4=CC=CC=C4)CCC[N+]5=CNC=C5)[O-]

InChI

InChI=1S/C26H23N3O5/c1-33-19-10-5-9-18-15-20(34-25(18)19)23(30)21-22(17-7-3-2-4-8-17)29(26(32)24(21)31)13-6-12-28-14-11-27-16-28/h2-5,7-11,14-16,22H,6,12-13H2,1H3,(H,30,31)