(phenylmethyl) 1-[(4-ethoxycarbonylphenoxy)-oxidanyl-methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: (phenylmethyl) 1-[(4-ethoxycarbonylphenoxy)-oxidanyl-methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[(4-ethoxycarbonylphenoxy)-hydroxy-methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenoxy)-hydroxymethyl]-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(4-ethoxycarbonylphenoxy)-hydroxymethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbethoxyphenoxy)-hydroxy-methyl]pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C22H26NO6+ MolecularWeight: 400.44494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26NO6/c1-2-27-20(24)18-10-12-19(13-11-18)29-22(26)23(14-6-7-15-23)21(25)28-16-17-8-4-3-5-9-17/h3-5,8-13,22,26H,2,6-7,14-16H2,1H3/q+1