N-[(2S)-2-ethylhexyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[(2S)-2-ethylhexyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(2S)-2-ethylhexyl]-1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(2S)-2-ethylhexyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[(2S)-2-ethylhexyl]-1-[4-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxamide Formula: C22H34F3N2O+ MolecularWeight: 399.51337

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C1CC[NH+](CC1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C22H33F3N2O/c1-3-5-6-17(4-2)15-26-21(28)19-11-13-27(14-12-19)16-18-7-9-20(10-8-18)22(23,24)25/h7-10,17,19H,3-6,11-16H2,1-2H3,(H,26,28)/p+1/t17-/m0/s1