N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C20H22N4O3S/c25-19(11-17-20(26)23-15-3-1-2-4-16(15)28-17)22-13-14-5-6-18(21-12-14)24-7-9-27-10-8-24/h1-6,12,17H,7-11,13H2,(H,22,25)(H,23,26)/p+1/t17-/m1/s1