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

Systemtic Name: 2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxybenzofuran-2-carbonyl)-2H-pyrrol-5-one CAS Name: 2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-[(7-methoxy-2-benzofuranyl)-oxomethyl]-2H-pyrrol-5-one IUPAC Name: 2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-3-(7-methoxy-1-benzofuran-2-carbonyl)-2H-pyrrol-5-one Traditional Name: 3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-(7-methoxybenzofuran-2-carbonyl)-5-p-phenetyl-3-pyrrolin-2-one Formula: C28H28N3O6+ MolecularWeight: 502.53842

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C28H27N3O6/c1-3-36-20-10-8-18(9-11-20)24-23(25(32)22-16-19-6-4-7-21(35-2)27(19)37-22)26(33)28(34)31(24)14-5-13-30-15-12-29-17-30/h4,6-12,15-17,24H,3,5,13-14H2,1-2H3,(H,32,33)/p+1