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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxidanylidene-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-(1-piperidin-1-iumyl)-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-oxo-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-homoveratryl-3-keto-2-piperidin-1-ium-1-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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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+]4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCCCC4)OC

InChI

InChI=1S/C24H29N3O4S/c1-30-19-8-6-16(14-20(19)31-2)10-11-25-22(28)17-7-9-21-18(15-17)26-23(29)24(32-21)27-12-4-3-5-13-27/h6-9,14-15,24H,3-5,10-13H2,1-2H3,(H,25,28)(H,26,29)/p+1