2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-piperidin-1-yl-ethanone hydrochloride

Systemtic Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-piperidin-1-yl-ethanone hydrochloride Openeye Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-(1-piperidyl)ethanone hydrochloride CAS Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]-1-piperazinyl]-1-(1-piperidinyl)ethanone hydrochloride IUPAC Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-piperidin-1-ylethanone hydrochloride Traditional Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazino]-1-piperidino-ethanone hydrochloride Formula: C27H44ClN3O MolecularWeight: 462.11076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)N4CCCCC4.Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)N4CCCCC4.Cl

InChI

InChI=1S/C27H43N3O.ClH/c1-27(2,3)23-13-11-22(12-14-23)24-9-5-6-10-25(24)29-19-17-28(18-20-29)21-26(31)30-15-7-4-8-16-30;/h5-6,9-10,22-23H,4,7-8,11-21H2,1-3H3;1H