1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(3-fluoranylphenoxy)ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(3-fluoranylphenoxy)ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-fluorophenoxy)ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(3-fluorophenoxy)ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-fluorophenoxy)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(3-fluorophenoxy)ethanone Formula: C25H26FN2O2+ MolecularWeight: 405.484543

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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(=CC=C4)F

Isomeric SMILES

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

InChI

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