2-(pyridin-3-ylcarbonylamino)ethyl-[[2-(trifluoromethyl)phenyl]methyl]azanium

Systemtic Name: 2-(pyridin-3-ylcarbonylamino)ethyl-[[2-(trifluoromethyl)phenyl]methyl]azanium Openeye Name: 2-(pyridine-3-carbonylamino)ethyl-[[2-(trifluoromethyl)phenyl]methyl]ammonium CAS Name: 2-[[oxo(3-pyridinyl)methyl]amino]ethyl-[[2-(trifluoromethyl)phenyl]methyl]ammonium IUPAC Name: 2-(pyridine-3-carbonylamino)ethyl-[[2-(trifluoromethyl)phenyl]methyl]azanium Traditional Name: 2-nicotinamidoethyl-[2-(trifluoromethyl)benzyl]ammonium Formula: C16H17F3N3O+ MolecularWeight: 324.32089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C[NH2+]CCNC(=O)C2=CN=CC=C2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)C[NH2+]CCNC(=O)C2=CN=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O/c17-16(18,19)14-6-2-1-4-12(14)10-21-8-9-22-15(23)13-5-3-7-20-11-13/h1-7,11,21H,8-10H2,(H,22,23)/p+1