N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide Formula: C20H24F3N4O+ MolecularWeight: 393.42597

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=NNC(=C4)C(F)(F)F

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)C4=NNC(=C4)C(F)(F)F

InChI

InChI=1S/C20H23F3N4O/c1-26(19(28)17-11-18(25-24-17)20(21,22)23)15-7-4-8-27(12-15)16-9-13-5-2-3-6-14(13)10-16/h2-3,5-6,11,15-16H,4,7-10,12H2,1H3,(H,24,25)/p+1/t15-/m0/s1