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

Systemtic Name: 2-[[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[4-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[4-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[4-(2-chloro-4-fluoro-benzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]ethyl-diethyl-ammonium Formula: C22H26ClFN3O2S+ MolecularWeight: 450.977143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC[NH+](CC)CCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C22H25ClFN3O2S/c1-3-26(4-2)10-9-25-22(29)15-6-8-20-19(11-15)27(21(28)14-30-20)13-16-5-7-17(24)12-18(16)23/h5-8,11-12H,3-4,9-10,13-14H2,1-2H3,(H,25,29)/p+1