(3R)-1-[[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CN3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CN3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C20H28N2O5/c1-26-17-7-5-6-15(13-22-14-16(20(24)25)12-18(22)23)19(17)27-11-10-21-8-3-2-4-9-21/h5-7,16H,2-4,8-14H2,1H3,(H,24,25)/t16-/m1/s1