3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[(2R)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2R)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2R)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2R)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5R)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(p-tolyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C25H27N2O4+ MolecularWeight: 419.49288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H26N2O4/c1-16-9-11-17(12-10-16)22-21(24(29)25(30)27(22)14-6-13-26(2)3)23(28)20-15-18-7-4-5-8-19(18)31-20/h4-5,7-12,15,22,29H,6,13-14H2,1-3H3/p+1/t22-/m1/s1