3-oxidanylidene-2-(phenylmethylidene)-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-2-(phenylmethylidene)-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-2-(phenylmethylene)-N-[3-(1-pyrrolidin-1-iumyl)propyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-3-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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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)C(=O)N3

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O2S/c27-22(24-11-6-14-26-12-4-5-13-26)18-9-10-20-19(16-18)25-23(28)21(29-20)15-17-7-2-1-3-8-17/h1-3,7-10,15-16H,4-6,11-14H2,(H,24,27)(H,25,28)/p+1