N-(1,3-benzodioxol-5-ylmethyl)-3-bromanyl-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromanyl-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-bromo-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: 3-bromo-1-oxido-N-piperonyl-pyridin-1-ium-4-carboxamide Formula: C14H11BrN2O4 MolecularWeight: 351.15214

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=[N+](C=C3)[O-])Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C=[N+](C=C3)[O-])Br

InChI

InChI=1S/C14H11BrN2O4/c15-11-7-17(19)4-3-10(11)14(18)16-6-9-1-2-12-13(5-9)21-8-20-12/h1-5,7H,6,8H2,(H,16,18)