N-[(4-methylphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(4-methylphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-(p-tolylmethyl)-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[(4-methylphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(4-methylphenyl)methyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-(4-methylbenzyl)-1-[4-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxamide Formula: C22H26F3N2O+ MolecularWeight: 391.44985

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C22H25F3N2O/c1-16-2-4-17(5-3-16)14-26-21(28)19-10-12-27(13-11-19)15-18-6-8-20(9-7-18)22(23,24)25/h2-9,19H,10-15H2,1H3,(H,26,28)/p+1