(3R)-1-[[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[[2-[3-(dimethylazaniumyl)propoxy]-4-methoxy-phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[2-[3-(dimethylammonio)propoxy]-4-methoxy-phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[2-[3-(dimethylammonio)propoxy]-4-methoxyphenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[2-[3-(dimethylazaniumyl)propoxy]-4-methoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-[3-(dimethylammonio)propoxy]-4-methoxy-benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C18H26N2O5 MolecularWeight: 350.40944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-19(2)7-4-8-25-16-10-15(24-3)6-5-13(16)11-20-12-14(18(22)23)9-17(20)21/h5-6,10,14H,4,7-9,11-12H2,1-3H3,(H,22,23)/t14-/m1/s1