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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C17H24NO4+ MolecularWeight: 306.37676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C17H23NO4/c1-13(11-18-9-5-2-6-10-18)21-17(19)16-12-20-14-7-3-4-8-15(14)22-16/h3-4,7-8,13,16H,2,5-6,9-12H2,1H3/p+1/t13-,16-/m1/s1