(2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate

Systemtic Name: (2S)-3-(1-benzofuran-2-ylcarbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-3-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-3-[2-benzofuranyl(oxo)methyl]-1-[3-(diethylammonio)propyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-3-(1-benzofuran-2-carbonyl)-1-[3-(diethylazaniumyl)propyl]-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-4-(benzofuran-2-carbonyl)-1-[3-(diethylammonio)propyl]-2-keto-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=N4

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC3=CC=CC=C3O2)C4=CC=CC=N4

InChI

InChI=1S/C25H27N3O4/c1-3-27(4-2)14-9-15-28-22(18-11-7-8-13-26-18)21(24(30)25(28)31)23(29)20-16-17-10-5-6-12-19(17)32-20/h5-8,10-13,16,22,30H,3-4,9,14-15H2,1-2H3/t22-/m1/s1