3-[5-[(1,3-benzodioxol-5-ylmethylazaniumyl)methyl]furan-2-yl]benzoate

Systemtic Name: 3-[5-[(1,3-benzodioxol-5-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Openeye Name: 3-[5-[(1,3-benzodioxol-5-ylmethylammonio)methyl]-2-furyl]benzoate CAS Name: 3-[5-[(1,3-benzodioxol-5-ylmethylammonio)methyl]-2-furanyl]benzoate IUPAC Name: 3-[5-[(1,3-benzodioxol-5-ylmethylazaniumyl)methyl]furan-2-yl]benzoate Traditional Name: 3-[5-[(piperonylammonio)methyl]-2-furyl]benzoate Formula: C20H17NO5 MolecularWeight: 351.35268

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C[NH2+]CC3=CC=C(O3)C4=CC(=CC=C4)C(=O)[O-]

InChI

InChI=1S/C20H17NO5/c22-20(23)15-3-1-2-14(9-15)17-7-5-16(26-17)11-21-10-13-4-6-18-19(8-13)25-12-24-18/h1-9,21H,10-12H2,(H,22,23)