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

Systemtic Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-3-(furan-2-ylcarbonyl)-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(dimethylammonio)propyl]-3-(furan-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(dimethylammonio)propyl]-3-[2-furanyl(oxo)methyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-3-(furan-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(dimethylammonio)propyl]-4-(2-furoyl)-2-keto-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-21(2)10-6-11-22-16(13-7-3-4-9-20-13)15(18(24)19(22)25)17(23)14-8-5-12-26-14/h3-5,7-9,12,16,24H,6,10-11H2,1-2H3/t16-/m1/s1