N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[2-(4-morpholinyl)-3-pyridin-1-iumyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2-morpholin-4-ylpyridin-1-ium-3-yl)methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2-morpholinopyridin-1-ium-3-yl)methyl]-piperonylamide Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C2=C(C=CC=[NH+]2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O4/c22-18(13-3-4-15-16(10-13)25-12-24-15)20-11-14-2-1-5-19-17(14)21-6-8-23-9-7-21/h1-5,10H,6-9,11-12H2,(H,20,22)/p+1