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

Systemtic Name: 1-(diphenylmethyl)-4-[4-(2-phenylmethoxyethoxy)but-2-ynyl]piperazin-4-ium chloride Openeye Name: 1-benzhydryl-4-[4-(2-benzyloxyethoxy)but-2-ynyl]piperazin-4-ium chloride CAS Name: 1-(diphenylmethyl)-4-[4-(2-phenylmethoxyethoxy)but-2-ynyl]piperazin-4-ium chloride IUPAC Name: 1-benzhydryl-4-[4-(2-phenylmethoxyethoxy)but-2-ynyl]piperazin-4-ium chloride Traditional Name: 1-benzhydryl-4-[4-(2-benzoxyethoxy)but-2-ynyl]piperazin-4-ium chloride Formula: C30H35ClN2O2 MolecularWeight: 491.0641

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CCOCCOCC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC#CCOCCOCC2=CC=CC=C2)C(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H34N2O2.ClH/c1-4-12-27(13-5-1)26-34-25-24-33-23-11-10-18-31-19-21-32(22-20-31)30(28-14-6-2-7-15-28)29-16-8-3-9-17-29;/h1-9,12-17,30H,18-26H2;1H