1-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]-4-[(2-methylphenyl)methyl]piperazine dihydrochloride

Systemtic Name: 1-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]-4-[(2-methylphenyl)methyl]piperazine dihydrochloride Openeye Name: 1-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]-4-(o-tolylmethyl)piperazine dihydrochloride CAS Name: 1-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-4-[(2-methylphenyl)methyl]piperazine dihydrochloride IUPAC Name: 1-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]-4-[(2-methylphenyl)methyl]piperazine dihydrochloride Traditional Name: 1-[4-[(4-chlorophenyl)-phenyl-methoxy]butyl]-4-(2-methylbenzyl)piperazine dihydrochloride Formula: C29H37Cl3N2O MolecularWeight: 535.97588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)CCCCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)CCCCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl.Cl.Cl

InChI

InChI=1S/C29H35ClN2O.2ClH/c1-24-9-5-6-12-27(24)23-32-20-18-31(19-21-32)17-7-8-22-33-29(25-10-3-2-4-11-25)26-13-15-28(30)16-14-26;;/h2-6,9-16,29H,7-8,17-23H2,1H3;2*1H