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

Systemtic Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; ethyl hydrogen sulfate Openeye Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; ethyl hydrogen sulfate CAS Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; sulfuric acid ethyl ester IUPAC Name: 3-ethyl-1,3-benzothiazol-3-ium-2-amine; ethyl hydrogen sulfate Traditional Name: (3-ethyl-1,3-benzothiazol-3-ium-2-yl)amine; sulfuric acid ethyl ester Formula: C11H17N2O4S2+ MolecularWeight: 305.39368

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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)/p+1