N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-yl-pyridin-1-ium-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholino-pyridin-1-ium-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(4-morpholinyl)-3-pyridin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-morpholin-4-ylpyridin-1-ium-3-carboxamide Traditional Name: 6-morpholino-N-piperonyl-pyridin-1-ium-3-carboxamide Formula: C18H20N3O4+ MolecularWeight: 342.3691

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=[NH+]C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCCN1C2=[NH+]C=C(C=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

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