N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide Traditional Name: N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]-1,3-benzothiazole-6-carboxamide Formula: C20H20F3N4OS+ MolecularWeight: 421.45921

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C20H19F3N4OS/c1-26-6-8-27(9-7-26)17-5-3-14(20(21,22)23)11-16(17)25-19(28)13-2-4-15-18(10-13)29-12-24-15/h2-5,10-12H,6-9H2,1H3,(H,25,28)/p+1