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

Systemtic Name: (phenylmethyl) 1-[(4-ethoxycarbonylphenoxy)-methoxy-methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: benzyl 1-[(4-ethoxycarbonylphenoxy)-methoxy-methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[(4-ethoxycarbonylphenoxy)-methoxymethyl]-1-pyrrolidin-1-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[(4-ethoxycarbonylphenoxy)-methoxymethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbethoxyphenoxy)-methoxy-methyl]pyrrolidin-1-ium-1-carboxylic acid benzyl ester Formula: C23H28NO6+ MolecularWeight: 414.47152

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H28NO6/c1-3-28-21(25)19-11-13-20(14-12-19)30-23(27-2)24(15-7-8-16-24)22(26)29-17-18-9-5-4-6-10-18/h4-6,9-14,23H,3,7-8,15-17H2,1-2H3/q+1