2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: 2-(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]acetamide IUPAC Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]acetamide Formula: C20H23ClN3O4+ MolecularWeight: 404.86732

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C20H22ClN3O4/c21-16-9-15(10-17-20(16)28-8-7-27-17)11-19(25)23-13-14-1-2-18(22-12-14)24-3-5-26-6-4-24/h1-2,9-10,12H,3-8,11,13H2,(H,23,25)/p+1