3-butyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine

Systemtic Name: 3-butyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: [3-butyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C12H14F3N2OS+ MolecularWeight: 291.31257

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F3N2OS/c1-2-3-6-17-9-5-4-8(18-12(13,14)15)7-10(9)19-11(17)16/h4-5,7,16H,2-3,6H2,1H3/p+1