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

Systemtic Name: 2-[(2S)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Openeye Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium CAS Name: 2-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)ammonium IUPAC Name: 2-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]ethyl-(2-hydroxyethyl)azanium Traditional Name: 2-[(5S)-4-acetyl-3-hydroxy-2-keto-5-p-cumenyl-3-pyrrolin-1-yl]ethyl-(2-hydroxyethyl)ammonium Formula: C19H27N2O4+ MolecularWeight: 347.42868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c1-12(2)14-4-6-15(7-5-14)17-16(13(3)23)18(24)19(25)21(17)10-8-20-9-11-22/h4-7,12,17,20,22,24H,8-11H2,1-3H3/p+1/t17-/m0/s1