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

Systemtic Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-3-(5-methylfuran-2-yl)carbonyl-5-oxidanylidene-2-pyridin-2-yl-2H-pyrrol-4-olate Openeye Name: (2S)-1-[3-(dimethylammonio)propyl]-3-(5-methylfuran-2-carbonyl)-5-oxo-2-(2-pyridyl)-2H-pyrrol-4-olate CAS Name: (2S)-1-[3-(dimethylammonio)propyl]-3-[(5-methyl-2-furanyl)-oxomethyl]-5-oxo-2-(2-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2S)-1-[3-(dimethylazaniumyl)propyl]-3-(5-methylfuran-2-carbonyl)-5-oxo-2-pyridin-2-yl-2H-pyrrol-4-olate Traditional Name: (5S)-1-[3-(dimethylammonio)propyl]-2-keto-4-(5-methyl-2-furoyl)-5-(2-pyridyl)-3-pyrrolin-3-olate Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)C2=C(C(=O)N(C2C3=CC=CC=N3)CCC[NH+](C)C)[O-]

Isomeric SMILES

CC1=CC=C(O1)C(=O)C2=C(C(=O)N([C@@H]2C3=CC=CC=N3)CCC[NH+](C)C)[O-]

InChI

InChI=1S/C20H23N3O4/c1-13-8-9-15(27-13)18(24)16-17(14-7-4-5-10-21-14)23(20(26)19(16)25)12-6-11-22(2)3/h4-5,7-10,17,25H,6,11-12H2,1-3H3/t17-/m1/s1