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

Systemtic Name: 3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate Openeye Name: 3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate CAS Name: 3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate IUPAC Name: 3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate Traditional Name: (3-ethyl-6-methyl-1,3-benzothiazol-3-ium-2-yl)amine; ethyl sulfate Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)C)N.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)C)N.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2S.C2H6O4S/c1-3-12-8-5-4-7(2)6-9(8)13-10(12)11;1-2-6-7(3,4)5/h4-6,11H,3H2,1-2H3;2H2,1H3,(H,3,4,5)