1-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]-4-(furan-2-ylmethyl)piperazine hydrochloride

Systemtic Name: 1-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]-4-(furan-2-ylmethyl)piperazine hydrochloride Openeye Name: 1-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-yl-phenyl]-4-(2-furylmethyl)piperazine hydrochloride CAS Name: 1-[2-(4,4-dimethylcyclohexyl)-4-(1-pyrrolidinyl)phenyl]-4-(2-furanylmethyl)piperazine hydrochloride IUPAC Name: 1-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidin-1-ylphenyl]-4-(furan-2-ylmethyl)piperazine hydrochloride Traditional Name: 1-[2-(4,4-dimethylcyclohexyl)-4-pyrrolidino-phenyl]-4-(2-furfuryl)piperazine hydrochloride Formula: C27H40ClN3O MolecularWeight: 458.079

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC3)N4CCN(CC4)CC5=CC=CO5)C.Cl

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCCC3)N4CCN(CC4)CC5=CC=CO5)C.Cl

InChI

InChI=1S/C27H39N3O.ClH/c1-27(2)11-9-22(10-12-27)25-20-23(29-13-3-4-14-29)7-8-26(25)30-17-15-28(16-18-30)21-24-6-5-19-31-24;/h5-8,19-20,22H,3-4,9-18,21H2,1-2H3;1H