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

Systemtic Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(diethylammonio)propyl]-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(diethylammonio)propyl]-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(diethylazaniumyl)propyl]-3-(5-methylfuran-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(diethylammonio)propyl]-2-keto-4-(5-methyl-2-furoyl)-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C22H27N3O4 MolecularWeight: 397.46748

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCCN1C(C(=C(C1=O)[O-])C(=O)C2=CC=C(O2)C)C3=CC=CC=N3

Isomeric SMILES

CC[NH+](CC)CCCN1[C@@H](C(=C(C1=O)[O-])C(=O)C2=CC=C(O2)C)C3=CC=CC=N3

InChI

InChI=1S/C22H27N3O4/c1-4-24(5-2)13-8-14-25-19(16-9-6-7-12-23-16)18(21(27)22(25)28)20(26)17-11-10-15(3)29-17/h6-7,9-12,19,27H,4-5,8,13-14H2,1-3H3/t19-/m1/s1