2-[(3-methoxyphenyl)methylidene]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-[(3-methoxyphenyl)methylidene]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3-methoxyphenyl)methylene]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylidene]-N-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3-methoxyphenyl)methylidene]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-2-m-anisylidene-N-(3-morpholin-4-ium-4-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C24H28N3O4S+ MolecularWeight: 454.56182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC[NH+]4CCOCC4

InChI

InChI=1S/C24H27N3O4S/c1-30-19-5-2-4-17(14-19)15-22-24(29)26-20-16-18(6-7-21(20)32-22)23(28)25-8-3-9-27-10-12-31-13-11-27/h2,4-7,14-16H,3,8-13H2,1H3,(H,25,28)(H,26,29)/p+1