(3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenyl-propan-1-one

Systemtic Name: (3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenyl-propan-1-one Openeye Name: (3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenyl-propan-1-one CAS Name: (3R)-3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-(4-methoxyphenyl)-3-phenyl-1-propanone IUPAC Name: (3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenylpropan-1-one Traditional Name: (3R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-1-(4-methoxyphenyl)-3-phenyl-propan-1-one Formula: C26H28FN2O2+ MolecularWeight: 419.511123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC(C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[C@H](C2=CC=CC=C2)[NH+]3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H27FN2O2/c1-31-24-13-7-21(8-14-24)26(30)19-25(20-5-3-2-4-6-20)29-17-15-28(16-18-29)23-11-9-22(27)10-12-23/h2-14,25H,15-19H2,1H3/p+1/t25-/m1/s1