bis(azanyl)methylideneazanium; 4-methylbenzenesulfonate

Systemtic Name: bis(azanyl)methylideneazanium; 4-methylbenzenesulfonate Openeye Name: diaminomethyleneammonium; 4-methylbenzenesulfonate CAS Name: diaminomethylideneammonium; 4-methylbenzenesulfonate IUPAC Name: diaminomethylideneazanium; 4-methylbenzenesulfonate Traditional Name: diaminomethyleneammonium tosylate Formula: C8H13N3O3S MolecularWeight: 231.27212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(=[NH2+])(N)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C(=[NH2+])(N)N

InChI

InChI=1S/C7H8O3S.CH5N3/c1-6-2-4-7(5-3-6)11(8,9)10;2-1(3)4/h2-5H,1H3,(H,8,9,10);(H5,2,3,4)