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

Systemtic Name: 3-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(5-methylfuran-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(5-methyl-2-furyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(5-methyl-2-furanyl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(5-methyl-2-furyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C23H25N2O5+ MolecularWeight: 409.455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(O1)[C@@H]2C(=C(C(=O)N2CCC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H24N2O5/c1-14-9-10-17(29-14)20-19(22(27)23(28)25(20)12-6-11-24(2)3)21(26)18-13-15-7-4-5-8-16(15)30-18/h4-5,7-10,13,20,27H,6,11-12H2,1-3H3/p+1/t20-/m1/s1