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

Systemtic Name: 4,4-dimethyl-3-(4-methylphenyl)-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Openeye Name: 4,4-dimethyl-3-(p-tolyl)-1H-1,3,5-triazin-3-ium-2,6-diamine chloride CAS Name: 4,4-dimethyl-3-(4-methylphenyl)-1H-1,3,5-triazin-3-ium-2,6-diamine chloride IUPAC Name: 4,4-dimethyl-3-(4-methylphenyl)-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Traditional Name: [6-amino-4,4-dimethyl-3-(p-tolyl)-1H-s-triazin-3-ium-2-yl]amine chloride Formula: C12H18ClN5 MolecularWeight: 267.75782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5.ClH/c1-8-4-6-9(7-5-8)17-11(14)15-10(13)16-12(17,2)3;/h4-7H,1-3H3,(H4,13,14,15,16);1H