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

Systemtic Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(diethylammonio)propyl]-3-(furan-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(diethylammonio)propyl]-3-[2-furanyl(oxo)methyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-(furan-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(diethylammonio)propyl]-4-(2-furoyl)-2-keto-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=CO2)C3=CC=CC=N3

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=CO2)C3=CC=CC=N3

InChI

InChI=1S/C21H25N3O4/c1-3-23(4-2)12-8-13-24-18(15-9-5-6-11-22-15)17(20(26)21(24)27)19(25)16-10-7-14-28-16/h5-7,9-11,14,18,26H,3-4,8,12-13H2,1-2H3/t18-/m1/s1