piperidin-1-yl-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: piperidin-1-yl-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]methanone Openeye Name: 1-piperidyl-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]methanone CAS Name: 1-piperidinyl-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: piperidin-1-yl-[(3S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-yl]methanone Traditional Name: piperidino-[(3S)-1-[2-(trifluoromethyl)benzyl]piperidin-1-ium-3-yl]methanone Formula: C19H26F3N2O+ MolecularWeight: 355.41775

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C19H25F3N2O/c20-19(21,22)17-9-3-2-7-15(17)13-23-10-6-8-16(14-23)18(25)24-11-4-1-5-12-24/h2-3,7,9,16H,1,4-6,8,10-14H2/p+1/t16-/m0/s1