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

Systemtic Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-piperidin-1-yl-phenyl]piperazin-1-yl]butan-2-one hydrochloride Openeye Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-(1-piperidyl)phenyl]piperazin-1-yl]butan-2-one hydrochloride CAS Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-(1-piperidinyl)phenyl]-1-piperazinyl]-2-butanone hydrochloride IUPAC Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-piperidin-1-ylphenyl]piperazin-1-yl]butan-2-one hydrochloride Traditional Name: 1-[4-[2-(4,4-dimethylcyclohexyl)-4-piperidino-phenyl]piperazino]butan-2-one hydrochloride Formula: C27H44ClN3O MolecularWeight: 462.11076

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCCCC3)C4CCC(CC4)(C)C.Cl

Isomeric SMILES

CCC(=O)CN1CCN(CC1)C2=C(C=C(C=C2)N3CCCCC3)C4CCC(CC4)(C)C.Cl

InChI

InChI=1S/C27H43N3O.ClH/c1-4-24(31)21-28-16-18-30(19-17-28)26-9-8-23(29-14-6-5-7-15-29)20-25(26)22-10-12-27(2,3)13-11-22;/h8-9,20,22H,4-7,10-19,21H2,1-3H3;1H