[1-[(5E)-5-(4-tert-butylphenyl)-5-hydroxyimino-pentyl]piperidin-4-yl]-diphenyl-methanol hydrochloride

Systemtic Name: [1-[(5E)-5-(4-tert-butylphenyl)-5-hydroxyimino-pentyl]piperidin-4-yl]-diphenyl-methanol hydrochloride Openeye Name: 1-(4-tert-butylphenyl)-5-[4-[hydroxy(diphenyl)methyl]-1-piperidyl]pentan-1-one oxime hydrochloride CAS Name: 1-(4-tert-butylphenyl)-5-[4-[hydroxy(diphenyl)methyl]-1-piperidinyl]-1-pentanone oxime hydrochloride IUPAC Name: [1-[(5E)-5-(4-tert-butylphenyl)-5-hydroxyiminopentyl]piperidin-4-yl]-diphenylmethanol hydrochloride Traditional Name: 1-(4-tert-butylphenyl)-5-[4-[hydroxy(diphenyl)methyl]piperidino]pentan-1-one oxime hydrochloride Formula: C33H43ClN2O2 MolecularWeight: 535.15972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=NO)CCCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C(=N/O)/CCCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C33H42N2O2.ClH/c1-32(2,3)27-19-17-26(18-20-27)31(34-37)16-10-11-23-35-24-21-30(22-25-35)33(36,28-12-6-4-7-13-28)29-14-8-5-9-15-29;/h4-9,12-15,17-20,30,36-37H,10-11,16,21-25H2,1-3H3;1H/b34-31+;