2,6-ditert-butyl-4-(1-methylimidazol-2-yl)-4-oxidanyl-cyclohexa-2,5-dien-1-one hydrochloride

Systemtic Name: 2,6-ditert-butyl-4-(1-methylimidazol-2-yl)-4-oxidanyl-cyclohexa-2,5-dien-1-one hydrochloride Openeye Name: 2,6-ditert-butyl-4-hydroxy-4-(1-methylimidazol-2-yl)cyclohexa-2,5-dien-1-one hydrochloride CAS Name: 2,6-ditert-butyl-4-hydroxy-4-(1-methyl-2-imidazolyl)-1-cyclohexa-2,5-dienone hydrochloride IUPAC Name: 2,6-ditert-butyl-4-hydroxy-4-(1-methylimidazol-2-yl)cyclohexa-2,5-dien-1-one hydrochloride Traditional Name: 2,6-ditert-butyl-4-hydroxy-4-(1-methylimidazol-2-yl)cyclohexa-2,5-dien-1-one hydrochloride Formula: C18H27ClN2O2 MolecularWeight: 338.87218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C2=NC=CN2C)O.Cl

Isomeric SMILES

CC(C)(C)C1=CC(C=C(C1=O)C(C)(C)C)(C2=NC=CN2C)O.Cl

InChI

InChI=1S/C18H26N2O2.ClH/c1-16(2,3)12-10-18(22,15-19-8-9-20(15)7)11-13(14(12)21)17(4,5)6;/h8-11,22H,1-7H3;1H