1-[4-[2-(4,4-dimethylcyclohexyl)-5-methoxy-phenyl]piperazin-1-yl]butan-2-one hydrochloride

Systemtic Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-5-methoxy-phenyl]piperazin-1-yl]butan-2-one hydrochloride Openeye Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-5-methoxy-phenyl]piperazin-1-yl]butan-2-one hydrochloride CAS Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-5-methoxyphenyl]-1-piperazinyl]-2-butanone hydrochloride IUPAC Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-5-methoxyphenyl]piperazin-1-yl]butan-2-one hydrochloride Traditional Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-5-methoxy-phenyl]piperazino]butan-2-one hydrochloride Formula: C23H37ClN2O2 MolecularWeight: 409.00508

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1CCN(CC1)C2=C(C=CC(=C2)OC)C3CCC(CC3)(C)C.Cl

Isomeric SMILES

CCC(=O)CN1CCN(CC1)C2=C(C=CC(=C2)OC)C3CCC(CC3)(C)C.Cl

InChI

InChI=1S/C23H36N2O2.ClH/c1-5-19(26)17-24-12-14-25(15-13-24)22-16-20(27-4)6-7-21(22)18-8-10-23(2,3)11-9-18;/h6-7,16,18H,5,8-15,17H2,1-4H3;1H