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

Systemtic Name: (3R)-1-[2-[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C20H27ClN2O4 MolecularWeight: 394.89238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CCN3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CCN3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C20H27ClN2O4/c21-17-4-5-18(27-11-10-22-7-2-1-3-8-22)15(12-17)6-9-23-14-16(20(25)26)13-19(23)24/h4-5,12,16H,1-3,6-11,13-14H2,(H,25,26)/t16-/m1/s1