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

Systemtic Name: 3-phenethyl-6-(trifluoromethyloxy)-1,3-benzothiazol-3-ium-2-amine Openeye Name: 3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine CAS Name: 3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine IUPAC Name: 3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-amine Traditional Name: [3-phenethyl-6-(trifluoromethoxy)-1,3-benzothiazol-3-ium-2-yl]amine Formula: C16H14F3N2OS+ MolecularWeight: 339.35537

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N

Isomeric SMILES

C1=CC=C(C=C1)CC[N+]2=C(SC3=C2C=CC(=C3)OC(F)(F)F)N

InChI

InChI=1S/C16H13F3N2OS/c17-16(18,19)22-12-6-7-13-14(10-12)23-15(20)21(13)9-8-11-4-2-1-3-5-11/h1-7,10,20H,8-9H2/p+1