2-[(2R)-3-ethanoyl-2-(4-hydroxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)azanium

Systemtic Name: 2-[(2R)-3-ethanoyl-2-(4-hydroxyphenyl)-4-oxidanyl-5-oxidanylidene-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)azanium Openeye Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-diisopropyl-ammonium CAS Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)ammonium IUPAC Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-oxo-2H-pyrrol-1-yl]ethyl-di(propan-2-yl)azanium Traditional Name: 2-[(2R)-3-acetyl-4-hydroxy-2-(4-hydroxyphenyl)-5-keto-3-pyrrolin-1-yl]ethyl-diisopropyl-ammonium Formula: C20H29N2O4+ MolecularWeight: 361.45526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCN1C(C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CCN1[C@@H](C(=C(C1=O)O)C(=O)C)C2=CC=C(C=C2)O)C(C)C

InChI

InChI=1S/C20H28N2O4/c1-12(2)21(13(3)4)10-11-22-18(15-6-8-16(24)9-7-15)17(14(5)23)19(25)20(22)26/h6-9,12-13,18,24-25H,10-11H2,1-5H3/p+1/t18-/m1/s1