N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Formula: C23H31F3N5O+ MolecularWeight: 450.52035

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)C4=NNC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)C4=NNC(=C4)C(F)(F)F

InChI

InChI=1S/C23H30F3N5O/c24-23(25,26)21-12-20(28-29-21)22(32)31(14-17-6-4-10-27-13-17)16-18-7-5-11-30(15-18)19-8-2-1-3-9-19/h4,6,10,12-13,18-19H,1-3,5,7-9,11,14-16H2,(H,28,29)/p+1/t18-/m0/s1