[(2R,3R,6S)-2-methyl-6-(13-oxidanylidenetetradecyl)piperidin-3-yl] ethanoate hydrochloride

Systemtic Name: [(2R,3R,6S)-2-methyl-6-(13-oxidanylidenetetradecyl)piperidin-3-yl] ethanoate hydrochloride Openeye Name: [(2R,3R,6S)-2-methyl-6-(13-oxotetradecyl)-3-piperidyl] acetate hydrochloride CAS Name: acetic acid [(2R,3R,6S)-2-methyl-6-(13-oxotetradecyl)-3-piperidinyl] ester hydrochloride IUPAC Name: [(2R,3R,6S)-2-methyl-6-(13-oxotetradecyl)piperidin-3-yl] acetate hydrochloride Traditional Name: acetic acid [(2R,3R,6S)-6-(13-ketotetradecyl)-2-methyl-3-piperidyl] ester hydrochloride Formula: C22H42ClNO3 MolecularWeight: 404.02678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H41NO3.ClH/c1-18(24)14-12-10-8-6-4-5-7-9-11-13-15-21-16-17-22(19(2)23-21)26-20(3)25;/h19,21-23H,4-17H2,1-3H3;1H/t19-,21+,22-;/m1./s1