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

Systemtic Name: 2-[(2S)-3-ethanoyl-2-(4-methylphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(p-tolyl)-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-methylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-[(5S)-4-acetyl-3-hydroxy-2-keto-5-(p-tolyl)-3-pyrrolin-1-yl]ethyl-(2-hydroxyethyl)ammonium Formula: C17H23N2O4+ MolecularWeight: 319.37552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(C(=O)N2CC[NH2+]CCO)O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH2+]CCO)O)C(=O)C

InChI

InChI=1S/C17H22N2O4/c1-11-3-5-13(6-4-11)15-14(12(2)21)16(22)17(23)19(15)9-7-18-8-10-20/h3-6,15,18,20,22H,7-10H2,1-2H3/p+1/t15-/m0/s1