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

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylidene]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methylene]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methylidene]-N-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylidene]-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-(3-morpholin-4-ium-4-ylpropyl)-2-veratrylidene-4H-1,4-benzothiazine-6-carboxamide Formula: C25H30N3O5S+ MolecularWeight: 484.5878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O5S/c1-31-20-6-4-17(14-21(20)32-2)15-23-25(30)27-19-16-18(5-7-22(19)34-23)24(29)26-8-3-9-28-10-12-33-13-11-28/h4-7,14-16H,3,8-13H2,1-2H3,(H,26,29)(H,27,30)/p+1