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

Systemtic Name: 2-[(2-fluorophenyl)methylidene]-3-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylene]-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(2-fluorophenyl)methylidene]-3-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(2-fluorophenyl)methylidene]-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-(2-fluorobenzylidene)-3-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C23H25FN3O2S+ MolecularWeight: 426.526903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4F)C(=O)N3

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4F)C(=O)N3

InChI

InChI=1S/C23H24FN3O2S/c24-18-7-2-1-6-16(18)15-21-23(29)26-19-14-17(8-9-20(19)30-21)22(28)25-10-5-13-27-11-3-4-12-27/h1-2,6-9,14-15H,3-5,10-13H2,(H,25,28)(H,26,29)/p+1