N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-[[2-(dimethylamino)-3-pyridin-1-iumyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-[[2-(dimethylamino)pyridin-1-ium-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CN(C)C1=C(C=CC=[NH+]1)CNC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H19N3O3/c1-20(2)16-13(4-3-7-18-16)11-19-17(21)12-5-6-14-15(10-12)23-9-8-22-14/h3-7,10H,8-9,11H2,1-2H3,(H,19,21)/p+1