6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one

Systemtic Name: 6-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-4H-1,4-benzothiazin-3-one Openeye Name: 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one CAS Name: 6-[[4-[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]-oxomethyl]-4H-1,4-benzothiazin-3-one IUPAC Name: 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Traditional Name: 6-[4-[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]-4H-1,4-benzothiazin-3-one Formula: C19H17ClF3N4O2S+ MolecularWeight: 457.87709

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C19H16ClF3N4O2S/c20-13-8-12(19(21,22)23)9-24-17(13)26-3-5-27(6-4-26)18(29)11-1-2-15-14(7-11)25-16(28)10-30-15/h1-2,7-9H,3-6,10H2,(H,25,28)/p+1