N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Formula: C19H24F3N4O+ MolecularWeight: 381.41527

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=NNC(=C3)C(F)(F)F

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=NNC(=C3)C(F)(F)F

InChI

InChI=1S/C19H23F3N4O/c1-25(18(27)16-12-17(24-23-16)19(20,21)22)15-8-5-10-26(13-15)11-9-14-6-3-2-4-7-14/h2-4,6-7,12,15H,5,8-11,13H2,1H3,(H,23,24)/p+1/t15-/m0/s1