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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxyphenyl)-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-3-hydroxy-1-[3-(1H-imidazol-3-ium-3-yl)propyl]-5-p-phenetyl-3-pyrrolin-2-one Formula: C27H26N3O5+ MolecularWeight: 472.51244

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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=CC=CC=C5O4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[N+]3=CNC=C3)O)C(=O)C4=CC5=CC=CC=C5O4

InChI

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