2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1,3-benzothiazole Formula: C19H19F3N3S+ MolecularWeight: 378.43447

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C19H18F3N3S/c20-19(21,22)14-4-3-5-15(12-14)25-10-8-24(9-11-25)13-18-23-16-6-1-2-7-17(16)26-18/h1-7,12H,8-11,13H2/p+1