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

Systemtic Name: (3R)-1-[[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[3-ethoxy-4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[3-ethoxy-4-(2-piperidin-1-ium-1-ylethoxy)benzyl]-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)CN2CC(CC2=O)C(=O)[O-])OCC[NH+]3CCCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2C[C@@H](CC2=O)C(=O)[O-])OCC[NH+]3CCCCC3

InChI

InChI=1S/C21H30N2O5/c1-2-27-19-12-16(14-23-15-17(21(25)26)13-20(23)24)6-7-18(19)28-11-10-22-8-4-3-5-9-22/h6-7,12,17H,2-5,8-11,13-15H2,1H3,(H,25,26)/t17-/m1/s1