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

Systemtic Name: (3R)-1-[[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxy-phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[4-[3-(dimethylammonio)propoxy]-3-ethoxy-phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[4-[3-(dimethylammonio)propoxy]-3-ethoxyphenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[4-[3-(dimethylazaniumyl)propoxy]-3-ethoxyphenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[4-[3-(dimethylammonio)propoxy]-3-ethoxy-benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C19H28N2O5 MolecularWeight: 364.43602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CC(CC2=O)C(=O)[O-])OCCC[NH+](C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5/c1-4-25-17-10-14(6-7-16(17)26-9-5-8-20(2)3)12-21-13-15(19(23)24)11-18(21)22/h6-7,10,15H,4-5,8-9,11-13H2,1-3H3,(H,23,24)/t15-/m1/s1