tert-butyl 1-(4-ethoxycarbonylcyclohexyl)oxy-2-(phenylmethoxymethoxymethyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-(4-ethoxycarbonylcyclohexyl)oxy-2-(phenylmethoxymethoxymethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxymethoxymethyl)-1-(4-ethoxycarbonylcyclohexoxy)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(4-ethoxycarbonylcyclohexyl)oxy-2-(phenylmethoxymethoxymethyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-ethoxycarbonylcyclohexyl)oxy-2-(phenylmethoxymethoxymethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 2-(benzoxymethoxymethyl)-1-(4-carbethoxycyclohexoxy)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C27H42NO7+ MolecularWeight: 492.62488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC(CC1)O[N+]2(CCCC2COCOCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CCC(CC1)O[N+]2(CCCC2COCOCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C27H42NO7/c1-5-33-25(29)22-13-15-24(16-14-22)35-28(26(30)34-27(2,3)4)17-9-12-23(28)19-32-20-31-18-21-10-7-6-8-11-21/h6-8,10-11,22-24H,5,9,12-20H2,1-4H3/q+1