N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide

Systemtic Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(2R)-3-oxidanylidene-4H-1,4-benzothiazin-2-yl]ethanamide Openeye Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide CAS Name: N-[4-(4-morpholin-4-iumylmethyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide IUPAC Name: N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]-2-[(2R)-3-oxo-4H-1,4-benzothiazin-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-4H-1,4-benzothiazin-2-yl]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)CC3C(=O)NC4=CC=CC=C4S3

Isomeric SMILES

C1COCC[NH+]1CC2=CC=C(C=C2)NC(=O)C[C@@H]3C(=O)NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O3S/c25-20(13-19-21(26)23-17-3-1-2-4-18(17)28-19)22-16-7-5-15(6-8-16)14-24-9-11-27-12-10-24/h1-8,19H,9-14H2,(H,22,25)(H,23,26)/p+1/t19-/m1/s1