1-(diphenylmethyl)-4-[2-(4-fluoranylphenoxy)ethyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[2-(4-fluoranylphenoxy)ethyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[2-(4-fluorophenoxy)ethyl]piperazin-4-ium Formula: C25H28FN2O+ MolecularWeight: 391.501023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)F)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27FN2O/c26-23-11-13-24(14-12-23)29-20-19-27-15-17-28(18-16-27)25(21-7-3-1-4-8-21)22-9-5-2-6-10-22/h1-14,25H,15-20H2/p+1