1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[[4-(trifluoromethyl)phenyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[[4-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-[4-(trifluoromethyl)benzyl]pyridin-1-ium-3-carboxamide Formula: C14H12F3N2O+ MolecularWeight: 282.246498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[N+](=C1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)N

Isomeric SMILES

C1=CC(=C[15N+](=C1)CC2=CC=C(C=C2)C(F)(F)F)C(=O)N

InChI

InChI=1S/C14H11F3N2O/c15-14(16,17)12-5-3-10(4-6-12)8-19-7-1-2-11(9-19)13(18)20/h1-7,9H,8H2,(H-,18,20)/p+1/i19+1