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

Systemtic Name: (3R)-5-oxidanylidene-1-[[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]pyrrolidine-3-carboxylate Openeye Name: (3R)-5-oxo-1-[[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]pyrrolidine-3-carboxylate CAS Name: (3R)-5-oxo-1-[[4-[2-(1-piperidin-1-iumyl)ethoxy]phenyl]methyl]-3-pyrrolidinecarboxylate IUPAC Name: (3R)-5-oxo-1-[[4-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]pyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[4-(2-piperidin-1-ium-1-ylethoxy)benzyl]pyrrolidine-3-carboxylate Formula: C19H26N2O4 MolecularWeight: 346.42074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O4/c22-18-12-16(19(23)24)14-21(18)13-15-4-6-17(7-5-15)25-11-10-20-8-2-1-3-9-20/h4-7,16H,1-3,8-14H2,(H,23,24)/t16-/m1/s1