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

Systemtic Name: tert-butyl 1-(4-methoxycarbonylcyclohexyl)oxy-2-(phenylmethoxymethoxymethyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-(benzyloxymethoxymethyl)-1-(4-methoxycarbonylcyclohexoxy)pyrrolidin-1-ium-1-carboxylate CAS Name: 1-(4-methoxycarbonylcyclohexyl)oxy-2-(phenylmethoxymethoxymethyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(4-methoxycarbonylcyclohexyl)oxy-2-(phenylmethoxymethoxymethyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 2-(benzoxymethoxymethyl)-1-(4-carbomethoxycyclohexoxy)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H40NO7+ MolecularWeight: 478.5983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1COCOCC2=CC=CC=C2)OC3CCC(CC3)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1COCOCC2=CC=CC=C2)OC3CCC(CC3)C(=O)OC

InChI

InChI=1S/C26H40NO7/c1-26(2,3)33-25(29)27(34-23-14-12-21(13-15-23)24(28)30-4)16-8-11-22(27)18-32-19-31-17-20-9-6-5-7-10-20/h5-7,9-10,21-23H,8,11-19H2,1-4H3/q+1