(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-fluoranylphenoxy)propan-1-one

Systemtic Name: (2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-(2-fluoranylphenoxy)propan-1-one Openeye Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)propan-1-one CAS Name: (2R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-(2-fluorophenoxy)-1-propanone IUPAC Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)propan-1-one Formula: C26H28FN2O2+ MolecularWeight: 419.511123

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC=C4F

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)OC4=CC=CC=C4F

InChI

InChI=1S/C26H27FN2O2/c1-20(31-24-15-9-8-14-23(24)27)26(30)29-18-16-28(17-19-29)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,20,25H,16-19H2,1H3/p+1/t20-/m1/s1