N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C17H24N3O3S+ MolecularWeight: 350.45576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=C(C=C1)SCC(=O)N2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=C(C=C1)SCC(=O)N2)[NH+]3CCOCC3

InChI

InChI=1S/C17H23N3O3S/c1-17(2,20-5-7-23-8-6-20)11-18-16(22)12-3-4-14-13(9-12)19-15(21)10-24-14/h3-4,9H,5-8,10-11H2,1-2H3,(H,18,22)(H,19,21)/p+1