tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(4-ethoxycarbonylphenoxy)-2-(hydroxymethyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-ethoxycarbonylphenoxy)-2-(hydroxymethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-(4-carbethoxyphenoxy)-2-methylol-pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C19H28NO6+ MolecularWeight: 366.42872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)O[N+]2(CCCC2CO)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)O[N+]2(CCCC2CO)C(=O)OC(C)(C)C

InChI

InChI=1S/C19H28NO6/c1-5-24-17(22)14-8-10-16(11-9-14)26-20(12-6-7-15(20)13-21)18(23)25-19(2,3)4/h8-11,15,21H,5-7,12-13H2,1-4H3/q+1