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

Systemtic Name: N-[[(3R)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[[(3R)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide CAS Name: N-[[(3R)-1-(1H-indol-2-ylmethyl)-3-piperidin-1-iumyl]methyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[[(3R)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[[(3R)-1-(1H-indol-2-ylmethyl)piperidin-1-ium-3-yl]methyl]-3-(trifluoromethyl)benzamide Formula: C23H25F3N3O+ MolecularWeight: 416.45931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=CC=CC=C3N2)CNC(=O)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC3=CC=CC=C3N2)CNC(=O)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C23H24F3N3O/c24-23(25,26)19-8-3-7-18(11-19)22(30)27-13-16-5-4-10-29(14-16)15-20-12-17-6-1-2-9-21(17)28-20/h1-3,6-9,11-12,16,28H,4-5,10,13-15H2,(H,27,30)/p+1/t16-/m1/s1