1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-(diphenylmethyl)piperazine dihydrochloride

Systemtic Name: 1-[(5-bromanyl-2-methoxy-phenyl)methyl]-3-(diphenylmethyl)piperazine dihydrochloride Openeye Name: 3-benzhydryl-1-[(5-bromo-2-methoxy-phenyl)methyl]piperazine dihydrochloride CAS Name: 1-[(5-bromo-2-methoxyphenyl)methyl]-3-(diphenylmethyl)piperazine dihydrochloride IUPAC Name: 3-benzhydryl-1-[(5-bromo-2-methoxyphenyl)methyl]piperazine dihydrochloride Traditional Name: 3-benzhydryl-1-(5-bromo-2-methoxy-benzyl)piperazine dihydrochloride Formula: C25H29BrCl2N2O MolecularWeight: 524.32056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CN2CCNC(C2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CN2CCNC(C2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C25H27BrN2O.2ClH/c1-29-24-13-12-22(26)16-21(24)17-28-15-14-27-23(18-28)25(19-8-4-2-5-9-19)20-10-6-3-7-11-20;;/h2-13,16,23,25,27H,14-15,17-18H2,1H3;2*1H