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

Systemtic Name: 2-[(3-methoxyphenyl)methylidene]-3-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3-methoxyphenyl)methylene]-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3-methoxyphenyl)methylidene]-3-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3-methoxyphenyl)methylidene]-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-2-m-anisylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C24H28N3O3S+ MolecularWeight: 438.56242

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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+]4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)C=C2C(=O)NC3=C(S2)C=CC(=C3)C(=O)NCCC[NH+]4CCCC4

InChI

InChI=1S/C24H27N3O3S/c1-30-19-7-4-6-17(14-19)15-22-24(29)26-20-16-18(8-9-21(20)31-22)23(28)25-10-5-13-27-11-2-3-12-27/h4,6-9,14-16H,2-3,5,10-13H2,1H3,(H,25,28)(H,26,29)/p+1