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

Systemtic Name: 3-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl-dimethyl-azanium Openeye Name: 3-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(4-pyridyl)-2H-pyrrol-1-yl]propyl-dimethyl-ammonium CAS Name: 3-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl-dimethylammonium IUPAC Name: 3-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]propyl-dimethylazanium Traditional Name: 3-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(4-pyridyl)-3-pyrrolin-1-yl]propyl-dimethyl-ammonium Formula: C23H24N3O4+ MolecularWeight: 406.45436

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCN1C(C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=NC=C4

Isomeric SMILES

C[NH+](C)CCCN1[C@H](C(=C(C1=O)O)C(=O)C2=CC3=CC=CC=C3O2)C4=CC=NC=C4

InChI

InChI=1S/C23H23N3O4/c1-25(2)12-5-13-26-20(15-8-10-24-11-9-15)19(22(28)23(26)29)21(27)18-14-16-6-3-4-7-17(16)30-18/h3-4,6-11,14,20,28H,5,12-13H2,1-2H3/p+1/t20-/m0/s1