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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(4-ethoxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-2-(4-ethoxyphenyl)-4-hydroxy-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-p-phenetyl-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C25H27N2O5+ MolecularWeight: 435.49228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCOC1=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/C25H26N2O5/c1-4-31-18-11-9-16(10-12-18)22-21(24(29)25(30)27(22)14-13-26(2)3)23(28)20-15-17-7-5-6-8-19(17)32-20/h5-12,15,22,29H,4,13-14H2,1-3H3/p+1/t22-/m0/s1