N5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2,5-diamine

Systemtic Name: N5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2,5-diamine Openeye Name: N5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2,5-diamine CAS Name: N5-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2,5-diamine IUPAC Name: 5-N-[[3-(trifluoromethyl)phenyl]methyl]pyridin-1-ium-2,5-diamine Traditional Name: (6-aminopyridin-1-ium-3-yl)-[3-(trifluoromethyl)benzyl]amine Formula: C13H13F3N3+ MolecularWeight: 268.25763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C[NH+]=C(C=C2)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC2=C[NH+]=C(C=C2)N

InChI

InChI=1S/C13H12F3N3/c14-13(15,16)10-3-1-2-9(6-10)7-18-11-4-5-12(17)19-8-11/h1-6,8,18H,7H2,(H2,17,19)/p+1