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

Systemtic Name: 2-[(2S)-3-ethanoyl-4-oxidanyl-5-oxidanylidene-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[(2S)-3-acetyl-4-hydroxy-2-(4-isopropylphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-dimethyl-ammonium CAS Name: 2-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]ethyl-dimethylammonium IUPAC Name: 2-[(2S)-3-acetyl-4-hydroxy-5-oxo-2-(4-propan-2-ylphenyl)-2H-pyrrol-1-yl]ethyl-dimethylazanium Traditional Name: 2-[(5S)-4-acetyl-3-hydroxy-2-keto-5-p-cumenyl-3-pyrrolin-1-yl]ethyl-dimethyl-ammonium Formula: C19H27N2O3+ MolecularWeight: 331.42928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O3/c1-12(2)14-6-8-15(9-7-14)17-16(13(3)22)18(23)19(24)21(17)11-10-20(4)5/h6-9,12,17,23H,10-11H2,1-5H3/p+1/t17-/m0/s1