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

Systemtic Name: 2-[(2S)-3-(1-benzofuran-2-ylcarbonyl)-4-oxidanyl-5-oxidanylidene-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethyl-azanium Openeye Name: 2-[(2S)-3-(benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-(4-pyridyl)-2H-pyrrol-1-yl]ethyl-diethyl-ammonium CAS Name: 2-[(2S)-3-[2-benzofuranyl(oxo)methyl]-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylammonium IUPAC Name: 2-[(2S)-3-(1-benzofuran-2-carbonyl)-4-hydroxy-5-oxo-2-pyridin-4-yl-2H-pyrrol-1-yl]ethyl-diethylazanium Traditional Name: 2-[(5S)-4-(benzofuran-2-carbonyl)-3-hydroxy-2-keto-5-(4-pyridyl)-3-pyrrolin-1-yl]ethyl-diethyl-ammonium Formula: C24H26N3O4+ MolecularWeight: 420.48094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-3-26(4-2)13-14-27-21(16-9-11-25-12-10-16)20(23(29)24(27)30)22(28)19-15-17-7-5-6-8-18(17)31-19/h5-12,15,21,29H,3-4,13-14H2,1-2H3/p+1/t21-/m0/s1