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

Systemtic Name: 1-[4-(2-phenylmethoxyethoxy)but-2-ynyl]-4-(phenylmethyl)piperazin-1-ium chloride Openeye Name: 1-benzyl-4-[4-(2-benzyloxyethoxy)but-2-ynyl]piperazin-4-ium chloride CAS Name: 1-[4-(2-phenylmethoxyethoxy)but-2-ynyl]-4-(phenylmethyl)piperazin-1-ium chloride IUPAC Name: 1-benzyl-4-[4-(2-phenylmethoxyethoxy)but-2-ynyl]piperazin-4-ium chloride Traditional Name: 1-[4-(2-benzoxyethoxy)but-2-ynyl]-4-benzyl-piperazin-1-ium chloride Formula: C24H31ClN2O2 MolecularWeight: 414.96814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CCOCCOCC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1CC#CCOCCOCC2=CC=CC=C2)CC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C24H30N2O2.ClH/c1-3-9-23(10-4-1)21-26-16-14-25(15-17-26)13-7-8-18-27-19-20-28-22-24-11-5-2-6-12-24;/h1-6,9-12H,13-22H2;1H