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

Systemtic Name: (3R)-1-[[3-chloranyl-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[3-chloro-5-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[3-chloro-5-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C19H25ClN2O5 MolecularWeight: 396.8652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CC(CC2=O)C(=O)[O-])Cl)OCC[NH+]3CCCC3

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2C[C@@H](CC2=O)C(=O)[O-])Cl)OCC[NH+]3CCCC3

InChI

InChI=1S/C19H25ClN2O5/c1-26-16-9-13(11-22-12-14(19(24)25)10-17(22)23)8-15(20)18(16)27-7-6-21-4-2-3-5-21/h8-9,14H,2-7,10-12H2,1H3,(H,24,25)/t14-/m1/s1