[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 1,3-benzodioxole-5-carboxylate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C16H22NO4+ MolecularWeight: 292.35018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21NO4/c1-12(10-17-7-3-2-4-8-17)21-16(18)13-5-6-14-15(9-13)20-11-19-14/h5-6,9,12H,2-4,7-8,10-11H2,1H3/p+1/t12-/m1/s1