1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine hydrochloride

Systemtic Name: 1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine hydrochloride Openeye Name: 1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(tetrahydropyran-4-ylmethyl)piperazine hydrochloride CAS Name: 1-[2-(4-tert-butyl-1-cyclohexenyl)phenyl]-4-(4-oxanylmethyl)piperazine hydrochloride IUPAC Name: 1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine hydrochloride Traditional Name: 1-[2-(4-tert-butylcyclohexen-1-yl)phenyl]-4-(tetrahydropyran-4-ylmethyl)piperazine hydrochloride Formula: C26H41ClN2O MolecularWeight: 433.06954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(=CC1)C2=CC=CC=C2N3CCN(CC3)CC4CCOCC4.Cl

Isomeric SMILES

CC(C)(C)C1CCC(=CC1)C2=CC=CC=C2N3CCN(CC3)CC4CCOCC4.Cl

InChI

InChI=1S/C26H40N2O.ClH/c1-26(2,3)23-10-8-22(9-11-23)24-6-4-5-7-25(24)28-16-14-27(15-17-28)20-21-12-18-29-19-13-21;/h4-8,21,23H,9-20H2,1-3H3;1H