1-(diphenylmethyl)-4-[4-(diphenylmethyl)oxybut-2-ynyl]piperazin-4-ium chloride

Systemtic Name: 1-(diphenylmethyl)-4-[4-(diphenylmethyl)oxybut-2-ynyl]piperazin-4-ium chloride Openeye Name: 1-benzhydryl-4-(4-benzhydryloxybut-2-ynyl)piperazin-4-ium chloride CAS Name: 1-(diphenylmethyl)-4-[4-(diphenylmethyl)oxybut-2-ynyl]piperazin-4-ium chloride IUPAC Name: 1-benzhydryl-4-(4-benzhydryloxybut-2-ynyl)piperazin-4-ium chloride Traditional Name: 1-benzhydryl-4-(4-benzhydryloxybut-2-ynyl)piperazin-4-ium chloride Formula: C34H35ClN2O MolecularWeight: 523.1075

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC#CCOC(C2=CC=CC=C2)C3=CC=CC=C3)C(C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C34H34N2O.ClH/c1-5-15-29(16-6-1)33(30-17-7-2-8-18-30)36-26-24-35(25-27-36)23-13-14-28-37-34(31-19-9-3-10-20-31)32-21-11-4-12-22-32;/h1-12,15-22,33-34H,23-28H2;1H