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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-homoveratryl-3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4)OC

InChI

InChI=1S/C23H27N3O5S/c1-29-18-5-3-15(13-19(18)30-2)7-8-24-21(27)16-4-6-20-17(14-16)25-22(28)23(32-20)26-9-11-31-12-10-26/h3-6,13-14,23H,7-12H2,1-2H3,(H,24,27)(H,25,28)/p+1