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

Systemtic Name: dimethyl-[2-[[3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl]azanium Openeye Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[oxo-[3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazin-6-yl]methyl]amino]ethyl]ammonium IUPAC Name: 2-[(2-benzylidene-3-oxo-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethylazanium Traditional Name: 2-[(2-benzal-3-keto-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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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)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O2S/c1-23(2)11-10-21-19(24)15-8-9-17-16(13-15)22-20(25)18(26-17)12-14-6-4-3-5-7-14/h3-9,12-13H,10-11H2,1-2H3,(H,21,24)(H,22,25)/p+1