5-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Systemtic Name: 5-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Openeye Name: 5-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide CAS Name: 5-methoxy-N-[6-(1-pyrrolidinyl)-3-pyridin-1-iumyl]-2,3-dihydro-1,4-benzodioxin-7-carboxamide IUPAC Name: 5-methoxy-N-(6-pyrrolidin-1-ylpyridin-1-ium-3-yl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide Traditional Name: 5-methoxy-N-(6-pyrrolidinopyridin-1-ium-3-yl)-2,3-dihydro-1,4-benzodioxin-7-carboxamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=C[NH+]=C(C=C3)N4CCCC4

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)NC3=C[NH+]=C(C=C3)N4CCCC4

InChI

InChI=1S/C19H21N3O4/c1-24-15-10-13(11-16-18(15)26-9-8-25-16)19(23)21-14-4-5-17(20-12-14)22-6-2-3-7-22/h4-5,10-12H,2-3,6-9H2,1H3,(H,21,23)/p+1