[(4S)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylidene-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxidanylidene-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylidene-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Openeye Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylene-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium CAS Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylidene-(2,2,6,6-tetramethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-4H-pyrazol-4-yl]methylidene-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)azanium Traditional Name: [(4S)-1-(1,3-benzothiazol-2-yl)-5-keto-3-(trifluoromethyl)-2-pyrazolin-4-yl]methylene-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)ammonium Formula: C21H26F3N5OS+2 MolecularWeight: 453.52425

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC([NH2+]1)(C)C)[NH+]=CC2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)C

Isomeric SMILES

CC1(CC(CC([NH2+]1)(C)C)[NH+]=C[C@H]2C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)C

InChI

InChI=1S/C21H24F3N5OS/c1-19(2)9-12(10-20(3,4)28-19)25-11-13-16(21(22,23)24)27-29(17(13)30)18-26-14-7-5-6-8-15(14)31-18/h5-8,11-13,28H,9-10H2,1-4H3/p+2/t13-/m0/s1