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

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C15H20NO4+ MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C[NH+]1CCCC1)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19NO4/c1-11(9-16-6-2-3-7-16)20-15(17)12-4-5-13-14(8-12)19-10-18-13/h4-5,8,11H,2-3,6-7,9-10H2,1H3/p+1/t11-/m1/s1