3-(3-bromanyl-4-methyl-phenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride

Systemtic Name: 3-(3-bromanyl-4-methyl-phenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Openeye Name: 3-(3-bromo-4-methyl-phenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride CAS Name: 3-(3-bromo-4-methylphenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride IUPAC Name: 3-(3-bromo-4-methylphenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Traditional Name: [6-amino-3-(3-bromo-4-methyl-phenyl)-4,4-dimethyl-1H-s-triazin-3-ium-2-yl]amine chloride Formula: C12H17BrClN5 MolecularWeight: 346.65388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+]2=C(NC(=NC2(C)C)N)N)Br.[Cl-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+]2=C(NC(=NC2(C)C)N)N)Br.[Cl-]

InChI

InChI=1S/C12H16BrN5.ClH/c1-7-4-5-8(6-9(7)13)18-11(15)16-10(14)17-12(18,2)3;/h4-6H,1-3H3,(H4,14,15,16,17);1H