3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)-phenyl-methyl]-3-methyl-piperazine dihydrochloride

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)-phenyl-methyl]-3-methyl-piperazine dihydrochloride Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)-phenyl-methyl]-3-methyl-piperazine dihydrochloride CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)-phenylmethyl]-3-methylpiperazine dihydrochloride IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-chlorophenyl)-phenylmethyl]-3-methylpiperazine dihydrochloride Traditional Name: 1-[(4-chlorophenyl)-phenyl-methyl]-3-methyl-3-piperonyl-piperazine dihydrochloride Formula: C26H29Cl3N2O2 MolecularWeight: 507.87966

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5.Cl.Cl

Isomeric SMILES

CC1(CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)CC4=CC5=C(C=C4)OCO5.Cl.Cl

InChI

InChI=1S/C26H27ClN2O2.2ClH/c1-26(16-19-7-12-23-24(15-19)31-18-30-23)17-29(14-13-28-26)25(20-5-3-2-4-6-20)21-8-10-22(27)11-9-21;;/h2-12,15,25,28H,13-14,16-18H2,1H3;2*1H