Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1)

CAS Registry Number®

1305320-63-1
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CAS Name

Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1)

Molecular Formula

C26H31ClN2O2.ClH

Cite this Page

Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1305320-63-1 (retrieved 2024-09-07) (CAS RN: 1305320-63-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C26H31ClN2O2.ClH/c1-26(2)12-11-24(19-3-7-22(27)8-4-19)21(17-26)18-28-13-15-29(16-14-28)23-9-5-20(6-10-23)25(30)31;/h3-10H,11-18H2,1-2H3,(H,30,31);1H

InChIKey

InChIKey=KKJDHOMITBURAP-UHFFFAOYSA-N

SMILES

C(C1=C(CCC(C)(C)C1)C2=CC=C(Cl)C=C2)N3CCN(CC3)C4=CC=C(C(O)=O)C=C4.Cl

Canonical SMILES

Cl.O=C(O)C1=CC=C(C=C1)N2CCN(CC3=C(C=4C=CC(Cl)=CC4)CCC(C)(C)C3)CC2

Other Names for this Substance

  • Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-, hydrochloride (1:1)