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

Systemtic Name: 2-[(3-chlorophenyl)methylidene]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 2-[(3-chlorophenyl)methylene]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: 2-[(3-chlorophenyl)methylidene]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 2-[(3-chlorophenyl)methylidene]-N-(2-morpholin-4-ium-4-ylethyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 2-(3-chlorobenzylidene)-3-keto-N-(2-morpholin-4-ium-4-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C22H23ClN3O3S+ MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O3S/c23-17-3-1-2-15(12-17)13-20-22(28)25-18-14-16(4-5-19(18)30-20)21(27)24-6-7-26-8-10-29-11-9-26/h1-5,12-14H,6-11H2,(H,24,27)(H,25,28)/p+1