(1-methylpiperidin-1-ium-4-yl) 1,3-benzodioxole-5-carboxylate

Systemtic Name: (1-methylpiperidin-1-ium-4-yl) 1,3-benzodioxole-5-carboxylate Openeye Name: (1-methylpiperidin-1-ium-4-yl) 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (1-methyl-4-piperidin-1-iumyl) ester IUPAC Name: (1-methylpiperidin-1-ium-4-yl) 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (1-methylpiperidin-1-ium-4-yl) ester Formula: C14H18NO4+ MolecularWeight: 264.29702

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCC(CC1)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17NO4/c1-15-6-4-11(5-7-15)19-14(16)10-2-3-12-13(8-10)18-9-17-12/h2-3,8,11H,4-7,9H2,1H3/p+1