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

Systemtic Name: (2S)-2-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: (2S)-2-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: (2S)-2-methyl-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: (2S)-2-methyl-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: (2S)-3-keto-2-methyl-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C20H23N4O3S+ MolecularWeight: 399.48662

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

Isomeric SMILES

C[C@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NCC3=C[NH+]=C(C=C3)N4CCOCC4

InChI

InChI=1S/C20H22N4O3S/c1-13-19(25)23-16-10-15(3-4-17(16)28-13)20(26)22-12-14-2-5-18(21-11-14)24-6-8-27-9-7-24/h2-5,10-11,13H,6-9,12H2,1H3,(H,22,26)(H,23,25)/p+1/t13-/m0/s1