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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-2-(5-methylfuran-2-yl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-2-(5-methyl-2-furyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-2-(5-methyl-2-furanyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-2-(5-methylfuran-2-yl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(5-methyl-2-furyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C22H23N2O5+ MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC=C(O1)[C@@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C22H22N2O5/c1-13-8-9-16(28-13)19-18(21(26)22(27)24(19)11-10-23(2)3)20(25)17-12-14-6-4-5-7-15(14)29-17/h4-9,12,19,26H,10-11H2,1-3H3/p+1/t19-/m1/s1