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

Systemtic Name: (3R)-1-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[3-methoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[3-methoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]pyrrolidine-3-carboxylate Formula: C19H26N2O5 MolecularWeight: 362.42014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O5/c1-25-17-10-14(12-21-13-15(19(23)24)11-18(21)22)4-5-16(17)26-9-8-20-6-2-3-7-20/h4-5,10,15H,2-3,6-9,11-13H2,1H3,(H,23,24)/t15-/m1/s1