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

Systemtic Name: (3R)-1-[[5-chloranyl-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[5-chloro-2-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[5-chloro-2-(2-piperidin-1-ium-1-ylethoxy)benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C19H25ClN2O4 MolecularWeight: 380.8658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CN3CC(CC3=O)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCOC2=C(C=C(C=C2)Cl)CN3C[C@@H](CC3=O)C(=O)[O-]

InChI

InChI=1S/C19H25ClN2O4/c20-16-4-5-17(26-9-8-21-6-2-1-3-7-21)14(10-16)12-22-13-15(19(24)25)11-18(22)23/h4-5,10,15H,1-3,6-9,11-13H2,(H,24,25)/t15-/m1/s1