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

Systemtic Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-oxidanylidene-2-(phenylmethylidene)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-benzylidene-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[3-(4-morpholin-4-iumyl)propyl]-3-oxo-2-(phenylmethylene)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-benzylidene-N-(3-morpholin-4-ium-4-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-benzal-3-keto-N-(3-morpholin-4-ium-4-ylpropyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C23H26N3O3S+ MolecularWeight: 424.53584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=O)C2=CC3=C(C=C2)SC(=CC4=CC=CC=C4)C(=O)N3

InChI

InChI=1S/C23H25N3O3S/c27-22(24-9-4-10-26-11-13-29-14-12-26)18-7-8-20-19(16-18)25-23(28)21(30-20)15-17-5-2-1-3-6-17/h1-3,5-8,15-16H,4,9-14H2,(H,24,27)(H,25,28)/p+1