(1R)-1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: (1R)-1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: (1R)-1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol CAS Name: (1R)-1-phenyl-2-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: (1R)-1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: (1R)-1-phenyl-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]ethanol Formula: C18H22F3N3O+2 MolecularWeight: 353.38199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CC[NH+]1C[C@@H](C2=CC=CC=C2)O)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O/c19-18(20,21)15-6-7-17(22-12-15)24-10-8-23(9-11-24)13-16(25)14-4-2-1-3-5-14/h1-7,12,16,25H,8-11,13H2/p+2/t16-/m0/s1