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

Systemtic Name: (3R)-1-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[2-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylate Formula: C20H28N2O5 MolecularWeight: 376.44672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN2CC(CC2=O)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)CCN2C[C@@H](CC2=O)C(=O)[O-])OCC[NH+]3CCCC3

InChI

InChI=1S/C20H28N2O5/c1-26-18-12-15(6-9-22-14-16(20(24)25)13-19(22)23)4-5-17(18)27-11-10-21-7-2-3-8-21/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,24,25)/t16-/m1/s1