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

Systemtic Name: 3-(4-chloranyl-3-nitro-phenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Openeye Name: 3-(4-chloro-3-nitro-phenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride CAS Name: 3-(4-chloro-3-nitrophenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride IUPAC Name: 3-(4-chloro-3-nitrophenyl)-4,4-dimethyl-1H-1,3,5-triazin-3-ium-2,6-diamine chloride Traditional Name: [6-amino-3-(4-chloro-3-nitro-phenyl)-4,4-dimethyl-1H-s-triazin-3-ium-2-yl]amine chloride Formula: C11H14Cl2N6O2 MolecularWeight: 333.17386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN6O2.ClH/c1-11(2)16-9(13)15-10(14)17(11)6-3-4-7(12)8(5-6)18(19)20;/h3-5H,1-2H3,(H4,13,14,15,16);1H