4-pyrrolidin-1-ium-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium

Systemtic Name: 4-pyrrolidin-1-ium-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium Openeye Name: 4-pyrrolidin-1-ium-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium CAS Name: 4-(1-pyrrolidin-1-iumyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium IUPAC Name: 4-pyrrolidin-1-ium-1-yl-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-ium Traditional Name: 4-pyrrolidin-1-ium-1-yl-1-[2-(trifluoromethyl)benzyl]piperidin-1-ium Formula: C17H25F3N2+2 MolecularWeight: 314.38901

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CC[NH+](C1)C2CC[NH+](CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H23F3N2/c18-17(19,20)16-6-2-1-5-14(16)13-21-11-7-15(8-12-21)22-9-3-4-10-22/h1-2,5-6,15H,3-4,7-13H2/p+2