N,1-bis(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride

Systemtic Name: N,1-bis(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride Openeye Name: N,1-bis(m-tolyl)-1,2,4-triazol-4-ium-4-amine chloride CAS Name: N,1-bis(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride IUPAC Name: N,1-bis(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride Traditional Name: m-tolyl-[1-(m-tolyl)-1,2,4-triazol-4-ium-4-yl]amine chloride Formula: C16H17ClN4 MolecularWeight: 300.78598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N[N+]2=CN(N=C2)C3=CC=CC(=C3)C.[Cl-]

Isomeric SMILES

CC1=CC(=CC=C1)N[N+]2=CN(N=C2)C3=CC=CC(=C3)C.[Cl-]

InChI

InChI=1S/C16H17N4.ClH/c1-13-5-3-7-15(9-13)18-19-11-17-20(12-19)16-8-4-6-14(2)10-16;/h3-12,18H,1-2H3;1H/q+1;/p-1