N-[[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide CAS Name: N-[[(3R)-1-(1H-imidazol-2-ylmethyl)-3-piperidin-1-iumyl]methyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[[(3R)-1-(1H-imidazol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Formula: C18H22F3N4O+ MolecularWeight: 367.38869

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=NC=CN2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=NC=CN2)CNC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O/c19-18(20,21)15-5-1-4-14(9-15)17(26)24-10-13-3-2-8-25(11-13)12-16-22-6-7-23-16/h1,4-7,9,13H,2-3,8,10-12H2,(H,22,23)(H,24,26)/p+1/t13-/m1/s1