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

Systemtic Name: (3R)-1-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-[3-ethoxy-4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-[3-ethoxy-4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CCN2CC(CC2=O)C(=O)[O-])OCC[NH+]3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CCN2C[C@@H](CC2=O)C(=O)[O-])OCC[NH+]3CCCC3

InChI

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