2-[2-(1,3-benzodioxol-5-yl)ethylamino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-4,6-dimethyl-pyridin-1-ium-3-carboxamide CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-4,6-dimethyl-3-pyridin-1-iumcarboxamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethylamino]-4,6-dimethylpyridin-1-ium-3-carboxamide Traditional Name: 2-(homopiperonylamino)-4,6-dimethyl-pyridin-1-ium-3-carboxamide Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C(=O)N)NCCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C(=O)N)NCCC2=CC3=C(C=C2)OCO3)C

InChI

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