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

Systemtic Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate Openeye Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate CAS Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate IUPAC Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; ethyl sulfate Traditional Name: (3-ethyl-1,3-benzothiazol-3-ium-2-yl)amine; ethyl sulfate Formula: C11H16N2O4S2 MolecularWeight: 304.38574

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)N.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)N.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C9H10N2S.C2H6O4S/c1-2-11-7-5-3-4-6-8(7)12-9(11)10;1-2-6-7(3,4)5/h3-6,10H,2H2,1H3;2H2,1H3,(H,3,4,5)