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

Systemtic Name: ethyl hydrogen sulfate; 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine Openeye Name: ethyl hydrogen sulfate; 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine; sulfuric acid ethyl ester IUPAC Name: ethyl hydrogen sulfate; 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine Traditional Name: (3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)amine; sulfuric acid ethyl ester Formula: C12H19N2O5S2+ MolecularWeight: 335.41966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2OS.C2H6O4S/c1-3-12-8-5-4-7(13-2)6-9(8)14-10(12)11;1-2-6-7(3,4)5/h4-6,11H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/p+1