N6-[(4-fluorophenyl)methyl]pyridin-1-ium-2,3,6-triamine

Systemtic Name: N6-[(4-fluorophenyl)methyl]pyridin-1-ium-2,3,6-triamine Openeye Name: N6-[(4-fluorophenyl)methyl]pyridin-1-ium-2,3,6-triamine CAS Name: N6-[(4-fluorophenyl)methyl]pyridin-1-ium-2,3,6-triamine IUPAC Name: 6-N-[(4-fluorophenyl)methyl]pyridin-1-ium-2,3,6-triamine Traditional Name: (5,6-diaminopyridin-1-ium-2-yl)-(4-fluorobenzyl)amine Formula: C12H14FN4+ MolecularWeight: 233.264763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC2=[NH+]C(=C(C=C2)N)N)F

Isomeric SMILES

C1=CC(=CC=C1CNC2=[NH+]C(=C(C=C2)N)N)F

InChI

InChI=1S/C12H13FN4/c13-9-3-1-8(2-4-9)7-16-11-6-5-10(14)12(15)17-11/h1-6H,7,14H2,(H3,15,16,17)/p+1