3-[2-(methylamino)ethyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine

Systemtic Name: 3-[2-(methylamino)ethyl]-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-[2-(methylamino)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-[2-(methylamino)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-[2-(methylamino)ethyl]-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-methyl-amine Formula: C11H13F3N3OS+ MolecularWeight: 292.30063

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Descriptors Computed from Structure

Canonical SMILES:

CNCC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

Isomeric SMILES

CNCC[N+]1=C(SC2=C1C=CC(=C2)OC(F)(F)F)N

InChI

InChI=1S/C11H12F3N3OS/c1-16-4-5-17-8-3-2-7(18-11(12,13)14)6-9(8)19-10(17)15/h2-3,6,15-16H,4-5H2,1H3/p+1