tert-butyl 2-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[1-[2-(cyclohexylamino)-1-oxidanyl-2-oxidanylidene-ethyl]pyrrolidin-1-ium-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxo-ethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: 2-[[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]-1-pyrrolidin-1-iumyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-[2-(cyclohexylamino)-1-hydroxy-2-oxoethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-[2-(cyclohexylamino)-1-hydroxy-2-keto-ethyl]pyrrolidin-1-ium-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H38N3O5+ MolecularWeight: 424.55422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCC3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1C(=O)[N+]2(CCCC2)C(C(=O)NC3CCCCC3)O

InChI

InChI=1S/C22H37N3O5/c1-22(2,3)30-21(29)24-13-9-12-17(24)19(27)25(14-7-8-15-25)20(28)18(26)23-16-10-5-4-6-11-16/h16-17,20,28H,4-15H2,1-3H3/p+1