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

Systemtic Name: 3-[[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]propyl-diethyl-azanium Openeye Name: 3-[[4-[(2-chloro-6-fluoro-phenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-diethyl-ammonium CAS Name: 3-[[[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]propyl-diethylammonium IUPAC Name: 3-[[4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]propyl-diethylazanium Traditional Name: 3-[[4-(2-chloro-6-fluoro-benzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]propyl-diethyl-ammonium Formula: C23H28ClFN3O2S+ MolecularWeight: 465.003723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClFN3O2S/c1-3-27(4-2)12-6-11-26-23(30)16-9-10-21-20(13-16)28(22(29)15-31-21)14-17-18(24)7-5-8-19(17)25/h5,7-10,13H,3-4,6,11-12,14-15H2,1-2H3,(H,26,30)/p+1