1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxidanylidene-2-[[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]ammonium CAS Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzothiazol-2-ylmethyl-methyl-[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl]azanium Traditional Name: 1,3-benzothiazol-2-ylmethyl-[2-keto-2-[2-pyrrolidino-5-(trifluoromethyl)anilino]ethyl]-methyl-ammonium Formula: C22H24F3N4OS+ MolecularWeight: 449.51237

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4

Isomeric SMILES

C[NH+](CC1=NC2=CC=CC=C2S1)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCCC4

InChI

InChI=1S/C22H23F3N4OS/c1-28(14-21-27-16-6-2-3-7-19(16)31-21)13-20(30)26-17-12-15(22(23,24)25)8-9-18(17)29-10-4-5-11-29/h2-3,6-9,12H,4-5,10-11,13-14H2,1H3,(H,26,30)/p+1