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

Systemtic Name: 2-[(2S)-3-ethanoyl-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(p-tolyl)-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(p-tolyl)-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+](C)C)O)C(=O)C

InChI

InChI=1S/C17H22N2O3/c1-11-5-7-13(8-6-11)15-14(12(2)20)16(21)17(22)19(15)10-9-18(3)4/h5-8,15,21H,9-10H2,1-4H3/p+1/t15-/m0/s1