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

Systemtic Name: 2-[(3-chlorophenyl)methylidene]-3-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylene]-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methylidene]-3-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methylidene]-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-(3-chlorobenzylidene)-3-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C23H25ClN3O2S+ MolecularWeight: 442.9815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC(=CC=C4)Cl)C(=O)N3

InChI

InChI=1S/C23H24ClN3O2S/c24-18-6-3-5-16(13-18)14-21-23(29)26-19-15-17(7-8-20(19)30-21)22(28)25-9-4-12-27-10-1-2-11-27/h3,5-8,13-15H,1-2,4,9-12H2,(H,25,28)(H,26,29)/p+1