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

Systemtic Name: [(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(2R)-1-(4-morpholin-4-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-morpholin-4-ium-4-ylpropan-2-yl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [(1R)-1-methyl-2-morpholin-4-ium-4-yl-ethyl] ester Formula: C16H22NO5+ MolecularWeight: 308.34958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCOCC1)OC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C[C@H](C[NH+]1CCOCC1)OC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C16H21NO5/c1-12(10-17-6-8-19-9-7-17)21-16(18)15-11-20-13-4-2-3-5-14(13)22-15/h2-5,12,15H,6-11H2,1H3/p+1/t12-,15+/m1/s1