N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide CAS Name: N-[[(3R)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[[(3R)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Formula: C20H26F3N4O+ MolecularWeight: 395.44185

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCN2C=CC=N2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H25F3N4O/c21-20(22,23)18-7-1-6-17(13-18)19(28)24-14-16-5-2-9-26(15-16)10-4-12-27-11-3-8-25-27/h1,3,6-8,11,13,16H,2,4-5,9-10,12,14-15H2,(H,24,28)/p+1/t16-/m1/s1