2,3-dimethyl-1,3-benzothiazol-3-ium-6-amine; methyl hydrogen sulfate

Systemtic Name: 2,3-dimethyl-1,3-benzothiazol-3-ium-6-amine; methyl hydrogen sulfate Openeye Name: 2,3-dimethyl-1,3-benzothiazol-3-ium-6-amine; methyl hydrogen sulfate CAS Name: 2,3-dimethyl-1,3-benzothiazol-3-ium-6-amine; sulfuric acid methyl ester IUPAC Name: 2,3-dimethyl-1,3-benzothiazol-3-ium-6-amine; methyl hydrogen sulfate Traditional Name: (2,3-dimethyl-1,3-benzothiazol-3-ium-6-yl)amine; sulfuric acid methyl ester Formula: C10H15N2O4S2+ MolecularWeight: 291.3671

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=C(C=C2)N)C.COS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=C(S1)C=C(C=C2)N)C.COS(=O)(=O)O

InChI

InChI=1S/C9H11N2S.CH4O4S/c1-6-11(2)8-4-3-7(10)5-9(8)12-6;1-5-6(2,3)4/h3-5H,10H2,1-2H3;1H3,(H,2,3,4)/q+1;