3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[[6-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(6-morpholin-4-ylpyridin-1-ium-3-yl)methyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(6-morpholinopyridin-1-ium-3-yl)methyl]propionamide Formula: C20H24N3O4+ MolecularWeight: 370.42226

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)CNC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4/c24-20(6-3-15-1-4-17-18(11-15)27-14-26-17)22-13-16-2-5-19(21-12-16)23-7-9-25-10-8-23/h1-2,4-5,11-12H,3,6-10,13-14H2,(H,22,24)/p+1