4,6-dimethyl-2-(3-methylimidazol-3-ium-1-yl)-1-oxidanidyl-pyrimidin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 4,6-dimethyl-2-(3-methylimidazol-3-ium-1-yl)-1-oxidanidyl-pyrimidin-1-ium; 4-methylbenzenesulfonate Openeye Name: 4,6-dimethyl-2-(3-methylimidazol-3-ium-1-yl)-1-oxido-pyrimidin-1-ium; 4-methylbenzenesulfonate CAS Name: 4,6-dimethyl-2-(3-methyl-1-imidazol-3-iumyl)-1-oxidopyrimidin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 4,6-dimethyl-2-(3-methylimidazol-3-ium-1-yl)-1-oxidopyrimidin-1-ium; 4-methylbenzenesulfonate Traditional Name: 4,6-dimethyl-2-(3-methylimidazol-3-ium-1-yl)-1-oxido-pyrimidin-1-ium tosylate Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[N+](C(=N1)N2C=C[N+](=C2)C)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC(=[N+](C(=N1)N2C=C[N+](=C2)C)[O-])C

InChI

InChI=1S/C10H13N4O.C7H8O3S/c1-8-6-9(2)14(15)10(11-8)13-5-4-12(3)7-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1