O2-[1-[(4-ethoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-yl] O1-(phenylmethyl) ethanedioate

Systemtic Name: O2-[1-[(4-ethoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-yl] O1-(phenylmethyl) ethanedioate Openeye Name: O1-benzyl O2-[1-[(4-ethoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-yl] oxalate CAS Name: oxalic acid O2-[1-[(4-ethoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumyl] ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-[1-[(4-ethoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-yl] oxalate Traditional Name: oxalic acid O1-benzyl ester O2-[1-[(4-carbethoxyphenoxy)methyl]pyrrolidin-1-ium-1-yl] ester Formula: C23H26NO7+ MolecularWeight: 428.45504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC[N+]2(CCCC2)OC(=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[N+]2(CCCC2)OC(=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26NO7/c1-2-28-21(25)19-10-12-20(13-11-19)30-17-24(14-6-7-15-24)31-23(27)22(26)29-16-18-8-4-3-5-9-18/h3-5,8-13H,2,6-7,14-17H2,1H3/q+1