N-[6-(1,3-benzodioxol-5-ylcarbonylamino)pyridin-1-ium-2-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[6-(1,3-benzodioxol-5-ylcarbonylamino)pyridin-1-ium-2-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[6-(1,3-benzodioxole-5-carbonylamino)pyridin-1-ium-2-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[6-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-2-pyridin-1-iumyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[6-(1,3-benzodioxole-5-carbonylamino)pyridin-1-ium-2-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[6-(piperonyloylamino)pyridin-1-ium-2-yl]-piperonylamide Formula: C21H16N3O6+ MolecularWeight: 406.36824

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=[NH+]C(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC3=[NH+]C(=CC=C3)NC(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H15N3O6/c25-20(12-4-6-14-16(8-12)29-10-27-14)23-18-2-1-3-19(22-18)24-21(26)13-5-7-15-17(9-13)30-11-28-15/h1-9H,10-11H2,(H2,22,23,24,25,26)/p+1