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

Systemtic Name: 1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Openeye Name: 1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium CAS Name: 1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium IUPAC Name: 1-(cyclopropylmethyl)-4-[4-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidin-1-ium Traditional Name: 1-(cyclopropylmethyl)-4-[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:

C1CC1C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CC1C[NH+]2CCC(CC2)C3=C(C=NN3)C4=CC(=CC=C4)C(F)(F)F

InChI

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