[3-[(3R,4R)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] ethanoate hydrochloride

Systemtic Name: [3-[(3R,4R)-1-hexyl-3,4-dimethyl-piperidin-4-yl]phenyl] ethanoate hydrochloride Openeye Name: [3-[(3R,4R)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] acetate hydrochloride CAS Name: acetic acid [3-[(3R,4R)-1-hexyl-3,4-dimethyl-4-piperidinyl]phenyl] ester hydrochloride IUPAC Name: [3-[(3R,4R)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] acetate hydrochloride Traditional Name: acetic acid [3-[(3R,4R)-1-hexyl-3,4-dimethyl-4-piperidyl]phenyl] ester hydrochloride Formula: C21H34ClNO2 MolecularWeight: 367.95316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1CCC(C(C1)C)(C)C2=CC(=CC=C2)OC(=O)C.Cl

Isomeric SMILES

CCCCCCN1CC[C@@]([C@H](C1)C)(C)C2=CC(=CC=C2)OC(=O)C.Cl

InChI

InChI=1S/C21H33NO2.ClH/c1-5-6-7-8-13-22-14-12-21(4,17(2)16-22)19-10-9-11-20(15-19)24-18(3)23;/h9-11,15,17H,5-8,12-14,16H2,1-4H3;1H/t17-,21+;/m0./s1