1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]-methyl-ammonium Formula: C18H17F3N3OS+ MolecularWeight: 380.40729

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C18H16F3N3OS/c1-24(11-17-23-14-7-2-3-8-15(14)26-17)10-16(25)22-13-6-4-5-12(9-13)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,25)/p+1