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

Systemtic Name: N-(3-methylbutyl)-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-isopentyl-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-(3-methylbutyl)-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-(3-methylbutyl)-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-isoamyl-3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C18H26N3O3S+ MolecularWeight: 364.48234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCOCC3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)SC(C(=O)N2)[NH+]3CCOCC3

InChI

InChI=1S/C18H25N3O3S/c1-12(2)5-6-19-16(22)13-3-4-15-14(11-13)20-17(23)18(25-15)21-7-9-24-10-8-21/h3-4,11-12,18H,5-10H2,1-2H3,(H,19,22)(H,20,23)/p+1