(2R,3R)-2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2R,3R)-2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(OC3=CC=CC=C3O2)C(=O)[O-])OCC[NH+]4CCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)[O-])OCC[NH+]4CCCC4

InChI

InChI=1S/C22H25NO6/c1-26-19-14-15(8-9-16(19)27-13-12-23-10-4-5-11-23)20-21(22(24)25)29-18-7-3-2-6-17(18)28-20/h2-3,6-9,14,20-21H,4-5,10-13H2,1H3,(H,24,25)/t20-,21-/m1/s1