1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azocane hydrochloride

Systemtic Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azocane hydrochloride Openeye Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azocane hydrochloride CAS Name: 1-[4-(4-butyl-1-piperazinyl)-3-(4,4-dimethylcyclohexyl)phenyl]azocane hydrochloride IUPAC Name: 1-[4-(4-butylpiperazin-1-yl)-3-(4,4-dimethylcyclohexyl)phenyl]azocane hydrochloride Traditional Name: 1-[4-(4-butylpiperazino)-3-(4,4-dimethylcyclohexyl)phenyl]azocane hydrochloride Formula: C29H50ClN3 MolecularWeight: 476.1804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCCCCCC3)C4CCC(CC4)(C)C.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=C(C=C2)N3CCCCCCC3)C4CCC(CC4)(C)C.Cl

InChI

InChI=1S/C29H49N3.ClH/c1-4-5-17-30-20-22-32(23-21-30)28-12-11-26(31-18-9-7-6-8-10-19-31)24-27(28)25-13-15-29(2,3)16-14-25;/h11-12,24-25H,4-10,13-23H2,1-3H3;1H