1-[2-(4,4-diethylcyclohexen-1-yl)phenyl]-4-(oxan-4-ylmethyl)piperazine hydrochloride

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCC(=CC1)C2=CC=CC=C2N3CCN(CC3)CC4CCOCC4)CC.Cl

Isomeric SMILES

CCC1(CCC(=CC1)C2=CC=CC=C2N3CCN(CC3)CC4CCOCC4)CC.Cl

InChI

InChI=1S/C26H40N2O.ClH/c1-3-26(4-2)13-9-23(10-14-26)24-7-5-6-8-25(24)28-17-15-27(16-18-28)21-22-11-19-29-20-12-22;/h5-9,22H,3-4,10-21H2,1-2H3;1H