tert-butyl [(2R,3R)-2-methyl-6-(13-oxidanylidenetetradecyl)piperidin-3-yl] carbonate hydrochloride

Systemtic Name: tert-butyl [(2R,3R)-2-methyl-6-(13-oxidanylidenetetradecyl)piperidin-3-yl] carbonate hydrochloride Openeye Name: tert-butyl [(2R,3R)-2-methyl-6-(13-oxotetradecyl)-3-piperidyl] carbonate hydrochloride CAS Name: carbonic acid tert-butyl [(2R,3R)-2-methyl-6-(13-oxotetradecyl)-3-piperidinyl] ester hydrochloride IUPAC Name: tert-butyl [(2R,3R)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] carbonate hydrochloride Traditional Name: carbonic acid tert-butyl [(2R,3R)-6-(13-ketotetradecyl)-2-methyl-3-piperidyl] ester hydrochloride Formula: C25H48ClNO4 MolecularWeight: 462.10592

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1)CCCCCCCCCCCCC(=O)C)OC(=O)OC(C)(C)C.Cl

Isomeric SMILES

C[C@@H]1[C@@H](CCC(N1)CCCCCCCCCCCCC(=O)C)OC(=O)OC(C)(C)C.Cl

InChI

InChI=1S/C25H47NO4.ClH/c1-20(27)16-14-12-10-8-6-7-9-11-13-15-17-22-18-19-23(21(2)26-22)29-24(28)30-25(3,4)5;/h21-23,26H,6-19H2,1-5H3;1H/t21-,22?,23-;/m1./s1