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

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C22H26N3O4S+ MolecularWeight: 428.52454

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O4S/c1-28-17-5-2-15(3-6-17)19(25-8-10-29-11-9-25)13-23-22(27)16-4-7-20-18(12-16)24-21(26)14-30-20/h2-7,12,19H,8-11,13-14H2,1H3,(H,23,27)(H,24,26)/p+1/t19-/m0/s1