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

Systemtic Name: 3-(2-dimethylaminoethyl)-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-(2-dimethylaminoethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-(2-dimethylaminoethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-(2-dimethylaminoethyl)-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: 2-[2-amino-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-3-yl]ethyl-dimethyl-amine Formula: C12H15F3N3OS+ MolecularWeight: 306.32721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14F3N3OS/c1-17(2)5-6-18-9-4-3-8(19-12(13,14)15)7-10(9)20-11(18)16/h3-4,7,16H,5-6H2,1-2H3/p+1