[(3S)-1-methylpiperidin-1-ium-3-yl] 1,3-benzodioxole-5-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[NH+]1CCC[C@@H](C1)OC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H17NO4/c1-15-6-2-3-11(8-15)19-14(16)10-4-5-12-13(7-10)18-9-17-12/h4-5,7,11H,2-3,6,8-9H2,1H3/p+1/t11-/m0/s1