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

Systemtic Name: (3R)-1-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[3-methoxy-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[2-[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]pyrrolidine-3-carboxylate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CCN3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OCC[NH+]2CCCCC2)CCN3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C21H30N2O5/c1-27-18-7-5-6-16(8-11-23-15-17(21(25)26)14-19(23)24)20(18)28-13-12-22-9-3-2-4-10-22/h5-7,17H,2-4,8-15H2,1H3,(H,25,26)/t17-/m1/s1