2-[2-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide

Systemtic Name: 2-[2-[(3-bromanyl-4-methoxy-phenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[2-[(3-bromo-4-methoxy-phenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[2-[(3-bromo-4-methoxyphenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[2-(3-bromo-4-methoxy-benzylidene)-3-keto-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C25H29BrN3O3S+ MolecularWeight: 531.48506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C2C(=O)N(C3=CC=CC=C3S2)CC(=O)NCCC[NH+]4CCCC4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C=C2C(=O)N(C3=CC=CC=C3S2)CC(=O)NCCC[NH+]4CCCC4)Br

InChI

InChI=1S/C25H28BrN3O3S/c1-32-21-10-9-18(15-19(21)26)16-23-25(31)29(20-7-2-3-8-22(20)33-23)17-24(30)27-11-6-14-28-12-4-5-13-28/h2-3,7-10,15-16H,4-6,11-14,17H2,1H3,(H,27,30)/p+1