2-[(2R)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-phenyl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[(2R)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-phenyl-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2R)-3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2R)-3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2R)-3-acetyl-4-hydroxy-5-oxo-2-phenyl-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5R)-4-acetyl-3-hydroxy-2-keto-5-phenyl-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C16H21N2O3+ MolecularWeight: 289.34954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C(=O)N(C1C2=CC=CC=C2)CC[NH+](C)C)O

Isomeric SMILES

CC(=O)C1=C(C(=O)N([C@@H]1C2=CC=CC=C2)CC[NH+](C)C)O

InChI

InChI=1S/C16H20N2O3/c1-11(19)13-14(12-7-5-4-6-8-12)18(10-9-17(2)3)16(21)15(13)20/h4-8,14,20H,9-10H2,1-3H3/p+1/t14-/m1/s1