3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate

Systemtic Name: 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate CAS Name: 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-amine; 4-methylbenzenesulfonate Traditional Name: (3-ethyl-6-methoxy-1,3-benzothiazol-3-ium-2-yl)amine tosylate Formula: C17H20N2O4S2 MolecularWeight: 380.4817

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=CC(=C2)OC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC2=C1C=CC(=C2)OC)N.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H12N2OS.C7H8O3S/c1-3-12-8-5-4-7(13-2)6-9(8)14-10(12)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-6,11H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)