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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-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)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H23NO4/c1-13(12-18-7-3-2-4-8-18)22-17(19)14-5-6-15-16(11-14)21-10-9-20-15/h5-6,11,13H,2-4,7-10,12H2,1H3/p+1/t13-/m1/s1