2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(2-chloro-6-fluoro-benzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H22ClFN3O2S+ MolecularWeight: 422.923983

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC=C3Cl)F

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3O2S/c1-24(2)9-8-23-20(27)13-6-7-18-17(10-13)25(19(26)12-28-18)11-14-15(21)4-3-5-16(14)22/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,27)/p+1