tert-butyl 2-[2-(4-methoxyphenoxy)ethyl]-1-oxidanyl-pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-[2-(4-methoxyphenoxy)ethyl]-1-oxidanyl-pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-hydroxy-2-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-hydroxy-2-[2-(4-methoxyphenoxy)ethyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-hydroxy-2-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-hydroxy-2-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H28NO5+ MolecularWeight: 338.41862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1CCOC2=CC=C(C=C2)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1CCOC2=CC=C(C=C2)OC)O

InChI

InChI=1S/C18H28NO5/c1-18(2,3)24-17(20)19(21)12-5-6-14(19)11-13-23-16-9-7-15(22-4)8-10-16/h7-10,14,21H,5-6,11-13H2,1-4H3/q+1