1-[3-(azetidin-2-yl)-2-(4,4-dimethylcyclohexyl)phenyl]-4-butyl-piperazine hydrochloride

Systemtic Name: 1-[3-(azetidin-2-yl)-2-(4,4-dimethylcyclohexyl)phenyl]-4-butyl-piperazine hydrochloride Openeye Name: 1-[3-(azetidin-2-yl)-2-(4,4-dimethylcyclohexyl)phenyl]-4-butyl-piperazine hydrochloride CAS Name: 1-[3-(2-azetidinyl)-2-(4,4-dimethylcyclohexyl)phenyl]-4-butylpiperazine hydrochloride IUPAC Name: 1-[3-(azetidin-2-yl)-2-(4,4-dimethylcyclohexyl)phenyl]-4-butylpiperazine hydrochloride Traditional Name: 1-[3-(azetidin-2-yl)-2-(4,4-dimethylcyclohexyl)phenyl]-4-butyl-piperazine hydrochloride Formula: C25H42ClN3 MolecularWeight: 420.07408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=CC=CC(=C2C3CCC(CC3)(C)C)C4CCN4.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=CC=CC(=C2C3CCC(CC3)(C)C)C4CCN4.Cl

InChI

InChI=1S/C25H41N3.ClH/c1-4-5-15-27-16-18-28(19-17-27)23-8-6-7-21(22-11-14-26-22)24(23)20-9-12-25(2,3)13-10-20;/h6-8,20,22,26H,4-5,9-19H2,1-3H3;1H