[(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(3R)-1-methyl-3-piperidin-1-iumyl] ester IUPAC Name: [(3R)-1-methylpiperidin-1-ium-3-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(3R)-1-methylpiperidin-1-ium-3-yl] ester Formula: C15H20NO4+ MolecularWeight: 278.3236

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC(C1)OC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[NH+]1CCC[C@H](C1)OC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H19NO4/c1-16-6-2-3-12(10-16)20-15(17)11-4-5-13-14(9-11)19-8-7-18-13/h4-5,9,12H,2-3,6-8,10H2,1H3/p+1/t12-/m1/s1