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

Systemtic Name: 3-(4-methoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Openeye Name: 3-(4-methoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride CAS Name: 3-(4-methoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride IUPAC Name: 3-(4-methoxyphenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Traditional Name: [6-amino-3-(4-methoxyphenyl)-4,4-dimethyl-1H-s-triazin-3-ium-2-yl]amine chloride Formula: C12H18ClN5O MolecularWeight: 283.75722

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Descriptors Computed from Structure

Canonical SMILES:

CC1(N=C(NC(=[N+]1C2=CC=C(C=C2)OC)N)N)C.[Cl-]

Isomeric SMILES

CC1(N=C(NC(=[N+]1C2=CC=C(C=C2)OC)N)N)C.[Cl-]

InChI

InChI=1S/C12H17N5O.ClH/c1-12(2)16-10(13)15-11(14)17(12)8-4-6-9(18-3)7-5-8;/h4-7H,1-3H3,(H4,13,14,15,16);1H