(3S)-1-cyclobutyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium

Systemtic Name: (3S)-1-cyclobutyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: (3S)-1-cyclobutyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: (3S)-1-cyclobutyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: (3S)-1-cyclobutyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: (3S)-1-cyclobutyl-3-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Formula: C19H23F3N3+ MolecularWeight: 350.40123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)[NH+]2CCCC(C2)C3=C(C=NN3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CCC2)C3=C(C=NN3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C19H22F3N3/c20-19(21,22)15-6-1-4-13(10-15)17-11-23-24-18(17)14-5-3-9-25(12-14)16-7-2-8-16/h1,4,6,10-11,14,16H,2-3,5,7-9,12H2,(H,23,24)/p+1/t14-/m0/s1