1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-yl-phenyl]piperazine hydrochloride

Systemtic Name: 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-yl-phenyl]piperazine hydrochloride Openeye Name: 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-yl-phenyl]piperazine hydrochloride CAS Name: 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-(1-pyrrolidinyl)phenyl]piperazine hydrochloride IUPAC Name: 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidin-1-ylphenyl]piperazine hydrochloride Traditional Name: 1-butyl-4-[2-(4-tert-butylcyclohexyl)-5-pyrrolidino-phenyl]piperazine hydrochloride Formula: C28H48ClN3 MolecularWeight: 462.15382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=C(C=CC(=C2)N3CCCC3)C4CCC(CC4)C(C)(C)C.Cl

Isomeric SMILES

CCCCN1CCN(CC1)C2=C(C=CC(=C2)N3CCCC3)C4CCC(CC4)C(C)(C)C.Cl

InChI

InChI=1S/C28H47N3.ClH/c1-5-6-15-29-18-20-31(21-19-29)27-22-25(30-16-7-8-17-30)13-14-26(27)23-9-11-24(12-10-23)28(2,3)4;/h13-14,22-24H,5-12,15-21H2,1-4H3;1H