(2R)-3-ethanoyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate

Systemtic Name: (2R)-3-ethanoyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxidanylidene-2-pyridin-3-yl-2H-pyrrol-4-olate Openeye Name: (2R)-3-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-5-oxo-2-(3-pyridyl)-2H-pyrrol-4-olate CAS Name: (2R)-3-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-5-oxo-2-(3-pyridinyl)-2H-pyrrol-4-olate IUPAC Name: (2R)-3-acetyl-1-[3-(2-hydroxyethylazaniumyl)propyl]-5-oxo-2-pyridin-3-yl-2H-pyrrol-4-olate Traditional Name: (5R)-4-acetyl-1-[3-(2-hydroxyethylammonio)propyl]-2-keto-5-(3-pyridyl)-3-pyrrolin-3-olate Formula: C16H21N3O4 MolecularWeight: 319.35564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CN=CC=C2)CCC[NH2+]CCO)[O-]

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CN=CC=C2)CCC[NH2+]CCO)[O-]

InChI

InChI=1S/C16H21N3O4/c1-11(21)13-14(12-4-2-5-18-10-12)19(16(23)15(13)22)8-3-6-17-7-9-20/h2,4-5,10,14,17,20,22H,3,6-9H2,1H3/t14-/m1/s1