2-[[2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(3-chlorophenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[(3-chlorophenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[2-(3-chlorobenzylidene)-3-keto-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H21ClN3O2S+ MolecularWeight: 402.91764

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC(=CC=C3)Cl)C(=O)N2

Isomeric SMILES

C[NH+](C)CCNC(=O)C1=CC2=C(C=C1)SC(=CC3=CC(=CC=C3)Cl)C(=O)N2

InChI

InChI=1S/C20H20ClN3O2S/c1-24(2)9-8-22-19(25)14-6-7-17-16(12-14)23-20(26)18(27-17)11-13-4-3-5-15(21)10-13/h3-7,10-12H,8-9H2,1-2H3,(H,22,25)(H,23,26)/p+1