1-(2-chloranyl-4-methyl-phenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine hydrochloride

Systemtic Name: 1-(2-chloranyl-4-methyl-phenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine hydrochloride Openeye Name: 1-(2-chloro-4-methyl-phenyl)-4-[6-[4-(1,1-dimethylpropyl)phenoxy]hexyl]piperazine hydrochloride CAS Name: 1-(2-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine hydrochloride IUPAC Name: 1-(2-chloro-4-methylphenyl)-4-[6-[4-(2-methylbutan-2-yl)phenoxy]hexyl]piperazine hydrochloride Traditional Name: 1-[6-(4-tert-amylphenoxy)hexyl]-4-(2-chloro-4-methyl-phenyl)piperazine hydrochloride Formula: C28H42Cl2N2O MolecularWeight: 493.55188

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=C(C=C(C=C3)C)Cl.Cl

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCCCCCN2CCN(CC2)C3=C(C=C(C=C3)C)Cl.Cl

InChI

InChI=1S/C28H41ClN2O.ClH/c1-5-28(3,4)24-11-13-25(14-12-24)32-21-9-7-6-8-16-30-17-19-31(20-18-30)27-15-10-23(2)22-26(27)29;/h10-15,22H,5-9,16-21H2,1-4H3;1H