2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C20H24N3O4S+ MolecularWeight: 402.48726

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CSC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H23N3O4S/c24-20(14-28-16-2-3-17-18(11-16)27-10-9-26-17)22-13-15-1-4-19(21-12-15)23-5-7-25-8-6-23/h1-4,11-12H,5-10,13-14H2,(H,22,24)/p+1