(3R)-4,4,4-tris(fluoranyl)-3-oxidanyl-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one

Systemtic Name: (3R)-4,4,4-tris(fluoranyl)-3-oxidanyl-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Openeye Name: (3R)-4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one CAS Name: (3R)-4,4,4-trifluoro-3-hydroxy-3-phenyl-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-butanone IUPAC Name: (3R)-4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butan-1-one Traditional Name: (3R)-4,4,4-trifluoro-3-hydroxy-3-phenyl-1-(4-pyridin-1-ium-2-ylpiperazino)butan-1-one Formula: C19H21F3N3O2+ MolecularWeight: 380.38415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CC(C3=CC=CC=C3)(C(F)(F)F)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C[C@@](C3=CC=CC=C3)(C(F)(F)F)O

InChI

InChI=1S/C19H20F3N3O2/c20-19(21,22)18(27,15-6-2-1-3-7-15)14-17(26)25-12-10-24(11-13-25)16-8-4-5-9-23-16/h1-9,27H,10-14H2/p+1/t18-/m1/s1