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

Systemtic Name: 2-[[4-[(4-chlorophenyl)methyl]-3-oxidanylidene-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[4-[(4-chlorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[[4-(4-chlorobenzyl)-3-keto-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22ClN3O2S/c1-23(2)10-9-22-20(26)15-5-8-18-17(11-15)24(19(25)13-27-18)12-14-3-6-16(21)7-4-14/h3-8,11H,9-10,12-13H2,1-2H3,(H,22,26)/p+1