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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(p-tolyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(p-tolyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C24H25N2O4+ MolecularWeight: 405.4663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H24N2O4/c1-15-8-10-16(11-9-15)21-20(23(28)24(29)26(21)13-12-25(2)3)22(27)19-14-17-6-4-5-7-18(17)30-19/h4-11,14,21,28H,12-13H2,1-3H3/p+1/t21-/m0/s1