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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(4-pyridyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(4-pyridyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C22H22N3O4+ MolecularWeight: 392.42778

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=NC=C4

Isomeric SMILES

C[NH+](C)CCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=NC=C4

InChI

InChI=1S/C22H21N3O4/c1-24(2)11-12-25-19(14-7-9-23-10-8-14)18(21(27)22(25)28)20(26)17-13-15-5-3-4-6-16(15)29-17/h3-10,13,19,27H,11-12H2,1-2H3/p+1/t19-/m0/s1