(3R)-1-[[3-[3-(dimethylazaniumyl)propoxy]phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[[3-[3-(dimethylazaniumyl)propoxy]phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[3-[3-(dimethylammonio)propoxy]phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[3-[3-(dimethylammonio)propoxy]phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[3-[3-(dimethylazaniumyl)propoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[3-[3-(dimethylammonio)propoxy]benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCOC1=CC=CC(=C1)CN2CC(CC2=O)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCCOC1=CC=CC(=C1)CN2C[C@@H](CC2=O)C(=O)[O-]

InChI

InChI=1S/C17H24N2O4/c1-18(2)7-4-8-23-15-6-3-5-13(9-15)11-19-12-14(17(21)22)10-16(19)20/h3,5-6,9,14H,4,7-8,10-12H2,1-2H3,(H,21,22)/t14-/m1/s1