4-methylbenzenesulfonate; 1-methylpyrimidin-1-ium-2-amine

Systemtic Name: 4-methylbenzenesulfonate; 1-methylpyrimidin-1-ium-2-amine Openeye Name: 4-methylbenzenesulfonate; 1-methylpyrimidin-1-ium-2-amine CAS Name: 4-methylbenzenesulfonate; 1-methyl-2-pyrimidin-1-iumamine IUPAC Name: 4-methylbenzenesulfonate; 1-methylpyrimidin-1-ium-2-amine Traditional Name: (1-methylpyrimidin-1-ium-2-yl)amine tosylate Formula: C12H15N3O3S MolecularWeight: 281.3308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CN=C1N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CN=C1N

InChI

InChI=1S/C7H8O3S.C5H7N3/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-4-2-3-7-5(8)6/h2-5H,1H3,(H,8,9,10);2-4,6H,1H3