2,6-dimethylpyrimidin-1-ium-1,4-diamine; 2,4,6-trimethylbenzenesulfonate

Systemtic Name: 2,6-dimethylpyrimidin-1-ium-1,4-diamine; 2,4,6-trimethylbenzenesulfonate Openeye Name: 2,6-dimethylpyrimidin-1-ium-1,4-diamine; 2,4,6-trimethylbenzenesulfonate CAS Name: 2,6-dimethylpyrimidin-1-ium-1,4-diamine; 2,4,6-trimethylbenzenesulfonate IUPAC Name: 2,6-dimethylpyrimidin-1-ium-1,4-diamine; 2,4,6-trimethylbenzenesulfonate Traditional Name: (1-amino-2,6-dimethyl-pyrimidin-1-ium-4-yl)amine; 2,4,6-trimethylbesylate Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC(=NC(=[N+]1N)C)N

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=CC(=NC(=[N+]1N)C)N

InChI

InChI=1S/C9H12O3S.C6H10N4/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-4-3-6(7)9-5(2)10(4)8/h4-5H,1-3H3,(H,10,11,12);3,7H,8H2,1-2H3