1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-fluoranylphenoxy)ethanone chloride

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(4-fluoranylphenoxy)ethanone chloride Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-fluorophenoxy)ethanone chloride CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(4-fluorophenoxy)ethanone chloride IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-fluorophenoxy)ethanone chloride Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(4-fluorophenoxy)ethanone chloride Formula: C25H26ClFN2O2 MolecularWeight: 440.937543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)F.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)COC4=CC=C(C=C4)F.[Cl-]

InChI

InChI=1S/C25H25FN2O2.ClH/c26-22-11-13-23(14-12-22)30-19-24(29)27-15-17-28(18-16-27)25(20-7-3-1-4-8-20)21-9-5-2-6-10-21;/h1-14,25H,15-19H2;1H