[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[[4-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[[4-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: [(3S)-1-pyrimidin-2-yl-3-piperidyl]-[[4-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: [(3S)-1-(2-pyrimidinyl)-3-piperidinyl]-[[4-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-[[4-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: [(3S)-1-(2-pyrimidyl)-3-piperidyl]-[4-(trifluoromethyl)benzyl]ammonium Formula: C17H20F3N4+ MolecularWeight: 337.36271

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)[NH2+]CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H19F3N4/c18-17(19,20)14-6-4-13(5-7-14)11-23-15-3-1-10-24(12-15)16-21-8-2-9-22-16/h2,4-9,15,23H,1,3,10-12H2/p+1/t15-/m0/s1