(3R)-1-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[3-methoxy-4-[2-(4-morpholin-4-iumyl)ethoxy]phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[2-[3-methoxy-4-(2-morpholin-4-ium-4-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylate Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN2CC(CC2=O)C(=O)[O-])OCC[NH+]3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)CCN2C[C@@H](CC2=O)C(=O)[O-])OCC[NH+]3CCOCC3

InChI

InChI=1S/C20H28N2O6/c1-26-18-12-15(4-5-22-14-16(20(24)25)13-19(22)23)2-3-17(18)28-11-8-21-6-9-27-10-7-21/h2-3,12,16H,4-11,13-14H2,1H3,(H,24,25)/t16-/m1/s1