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

Systemtic Name: N-[(2-methoxyphenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(2-methoxyphenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(2-methoxyphenyl)methyl]-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(2-methoxyphenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-2-morpholin-4-ium-4-yl-N-o-anisyl-4H-1,4-benzothiazine-6-carboxamide Formula: C21H24N3O4S+ MolecularWeight: 414.49796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4

InChI

InChI=1S/C21H23N3O4S/c1-27-17-5-3-2-4-15(17)13-22-19(25)14-6-7-18-16(12-14)23-20(26)21(29-18)24-8-10-28-11-9-24/h2-7,12,21H,8-11,13H2,1H3,(H,22,25)(H,23,26)/p+1