(3R)-3-(2-fluorophenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one

Systemtic Name: (3R)-3-(2-fluorophenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Openeye Name: (3R)-3-(2-fluorophenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one CAS Name: (3R)-3-(2-fluorophenyl)-3-phenyl-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: (3R)-3-(2-fluorophenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)propan-1-one Traditional Name: (3R)-3-(2-fluorophenyl)-3-phenyl-1-(4-pyridin-1-ium-4-ylpiperazino)propan-1-one Formula: C24H25FN3O+ MolecularWeight: 390.473203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C[C@H](C3=CC=CC=C3)C4=CC=CC=C4F

InChI

InChI=1S/C24H24FN3O/c25-23-9-5-4-8-21(23)22(19-6-2-1-3-7-19)18-24(29)28-16-14-27(15-17-28)20-10-12-26-13-11-20/h1-13,22H,14-18H2/p+1/t22-/m1/s1