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

Systemtic Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxidanylidene-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)ethanamide Openeye Name: 2-[2-[(3-bromophenyl)methylene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide CAS Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]acetamide IUPAC Name: 2-[2-[(3-bromophenyl)methylidene]-3-oxo-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Traditional Name: 2-[2-(3-bromobenzylidene)-3-keto-1,4-benzothiazin-4-yl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)acetamide Formula: C24H27BrN3O2S+ MolecularWeight: 501.45908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC(=CC=C4)Br)C2=O

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)CN2C3=CC=CC=C3SC(=CC4=CC(=CC=C4)Br)C2=O

InChI

InChI=1S/C24H26BrN3O2S/c25-19-8-5-7-18(15-19)16-22-24(30)28(20-9-1-2-10-21(20)31-22)17-23(29)26-11-6-14-27-12-3-4-13-27/h1-2,5,7-10,15-16H,3-4,6,11-14,17H2,(H,26,29)/p+1