1-(4-tert-butylphenyl)-6-[4-(diphenylmethylidene)piperidin-1-yl]hexan-1-one hydrochloride

Systemtic Name: 1-(4-tert-butylphenyl)-6-[4-(diphenylmethylidene)piperidin-1-yl]hexan-1-one hydrochloride Openeye Name: 6-(4-benzhydrylidene-1-piperidyl)-1-(4-tert-butylphenyl)hexan-1-one hydrochloride CAS Name: 1-(4-tert-butylphenyl)-6-[4-(diphenylmethylene)-1-piperidinyl]-1-hexanone hydrochloride IUPAC Name: 6-(4-benzhydrylidenepiperidin-1-yl)-1-(4-tert-butylphenyl)hexan-1-one hydrochloride Traditional Name: 6-(4-benzhydrylidenepiperidino)-1-(4-tert-butylphenyl)hexan-1-one hydrochloride Formula: C34H42ClNO MolecularWeight: 516.15638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCCN2CCC(=C(C3=CC=CC=C3)C4=CC=CC=C4)CC2.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCCN2CCC(=C(C3=CC=CC=C3)C4=CC=CC=C4)CC2.Cl

InChI

InChI=1S/C34H41NO.ClH/c1-34(2,3)31-20-18-27(19-21-31)32(36)17-11-6-12-24-35-25-22-30(23-26-35)33(28-13-7-4-8-14-28)29-15-9-5-10-16-29;/h4-5,7-10,13-16,18-21H,6,11-12,17,22-26H2,1-3H3;1H