tert-butyl 1-oxidanyl-2-(4-phenylmethoxybutyl)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-oxidanyl-2-(4-phenylmethoxybutyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-(4-benzyloxybutyl)-1-hydroxy-pyrrolidin-1-ium-1-carboxylate CAS Name: 1-hydroxy-2-(4-phenylmethoxybutyl)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-hydroxy-2-(4-phenylmethoxybutyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 2-(4-benzoxybutyl)-1-hydroxy-pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C20H32NO4+ MolecularWeight: 350.47238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1CCCCOCC2=CC=CC=C2)O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1CCCCOCC2=CC=CC=C2)O

InChI

InChI=1S/C20H32NO4/c1-20(2,3)25-19(22)21(23)14-9-13-18(21)12-7-8-15-24-16-17-10-5-4-6-11-17/h4-6,10-11,18,23H,7-9,12-16H2,1-3H3/q+1