(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[2-(trifluoromethyl)-1,3-benzothiazol-6-yl]methanone Formula: C18H16F3N4OS+ MolecularWeight: 393.40605

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(C=C3)N=C(S4)C(F)(F)F

InChI

InChI=1S/C18H15F3N4OS/c19-18(20,21)17-23-13-5-4-12(11-14(13)27-17)16(26)25-9-7-24(8-10-25)15-3-1-2-6-22-15/h1-6,11H,7-10H2/p+1