2-[(3,4-dimethoxyphenyl)methylidene]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methylidene]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3,4-dimethoxyphenyl)methylene]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3,4-dimethoxyphenyl)methylidene]-N-[(1-ethyl-2-pyrrolidin-1-iumyl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3,4-dimethoxyphenyl)methylidene]-N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-[(1-ethylpyrrolidin-1-ium-2-yl)methyl]-3-keto-2-veratrylidene-4H-1,4-benzothiazine-6-carboxamide Formula: C25H30N3O4S+ MolecularWeight: 468.5884

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=C(C=C4)OC)OC)C(=O)N3

Isomeric SMILES

CC[NH+]1CCCC1CNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=C(C=C4)OC)OC)C(=O)N3

InChI

InChI=1S/C25H29N3O4S/c1-4-28-11-5-6-18(28)15-26-24(29)17-8-10-22-19(14-17)27-25(30)23(33-22)13-16-7-9-20(31-2)21(12-16)32-3/h7-10,12-14,18H,4-6,11,15H2,1-3H3,(H,26,29)(H,27,30)/p+1