1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine

Systemtic Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine Openeye Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine CAS Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine IUPAC Name: 1-[(2-fluorophenyl)methyl]-3,5-dimethyl-1,2,4-triazol-4-ium-4-amine Traditional Name: [1-(2-fluorobenzyl)-3,5-dimethyl-1,2,4-triazol-4-ium-4-yl]amine Formula: C11H14FN4+ MolecularWeight: 221.254063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=[N+]1N)C)CC2=CC=CC=C2F

Isomeric SMILES

CC1=NN(C(=[N+]1N)C)CC2=CC=CC=C2F

InChI

InChI=1S/C11H14FN4/c1-8-14-15(9(2)16(8)13)7-10-5-3-4-6-11(10)12/h3-6H,7,13H2,1-2H3/q+1