N2-(1,3-benzodioxol-5-ylmethyl)-N3-methyl-1-oxidanidyl-pyridin-1-ium-2,3-dicarboxamide

Systemtic Name: N2-(1,3-benzodioxol-5-ylmethyl)-N3-methyl-1-oxidanidyl-pyridin-1-ium-2,3-dicarboxamide Openeye Name: N2-(1,3-benzodioxol-5-ylmethyl)-N3-methyl-1-oxido-pyridin-1-ium-2,3-dicarboxamide CAS Name: N2-(1,3-benzodioxol-5-ylmethyl)-N3-methyl-1-oxidopyridin-1-ium-2,3-dicarboxamide IUPAC Name: 2-N-(1,3-benzodioxol-5-ylmethyl)-3-N-methyl-1-oxidopyridin-1-ium-2,3-dicarboxamide Traditional Name: N'-methyl-1-oxido-N-piperonyl-pyridin-1-ium-2,3-dicarboxamide Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C([N+](=CC=C1)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CNC(=O)C1=C([N+](=CC=C1)[O-])C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H15N3O5/c1-17-15(20)11-3-2-6-19(22)14(11)16(21)18-8-10-4-5-12-13(7-10)24-9-23-12/h2-7H,8-9H2,1H3,(H,17,20)(H,18,21)