1-pyrazin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-pyrazin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-pyrazin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide CAS Name: 1-(2-pyrazinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-pyrazin-2-yl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-pyrazin-2-yl-1-[3-(trifluoromethyl)benzyl]piperidin-1-ium-4-carboxamide Formula: C18H20F3N4O+ MolecularWeight: 365.37281

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCC1C(=O)N)(CC2=CC(=CC=C2)C(F)(F)F)C3=NC=CN=C3

Isomeric SMILES

C1C[N+](CCC1C(=O)N)(CC2=CC(=CC=C2)C(F)(F)F)C3=NC=CN=C3

InChI

InChI=1S/C18H19F3N4O/c19-18(20,21)15-3-1-2-13(10-15)12-25(16-11-23-6-7-24-16)8-4-14(5-9-25)17(22)26/h1-3,6-7,10-11,14H,4-5,8-9,12H2,(H-,22,26)/p+1