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

Systemtic Name: 2-[[2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-4H-1,4-benzothiazin-6-yl]carbonylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-[(3-methoxyphenyl)methylene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-[(3-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazin-6-yl]-oxomethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-[(3-methoxyphenyl)methylidene]-3-oxo-4H-1,4-benzothiazine-6-carbonyl]amino]ethyl-dimethylazanium Traditional Name: 2-[(3-keto-2-m-anisylidene-4H-1,4-benzothiazine-6-carbonyl)amino]ethyl-dimethyl-ammonium Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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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)OC)C(=O)N2

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-24(2)10-9-22-20(25)15-7-8-18-17(13-15)23-21(26)19(28-18)12-14-5-4-6-16(11-14)27-3/h4-8,11-13H,9-10H2,1-3H3,(H,22,25)(H,23,26)/p+1