(4-ethynyl-2,5-dimethyl-piperidin-4-yl) benzoate hydrochloride

Systemtic Name: (4-ethynyl-2,5-dimethyl-piperidin-4-yl) benzoate hydrochloride Openeye Name: (4-ethynyl-2,5-dimethyl-4-piperidyl) benzoate hydrochloride CAS Name: benzoic acid (4-ethynyl-2,5-dimethyl-4-piperidinyl) ester hydrochloride IUPAC Name: (4-ethynyl-2,5-dimethylpiperidin-4-yl) benzoate hydrochloride Traditional Name: benzoic acid (4-ethynyl-2,5-dimethyl-4-piperidyl) ester hydrochloride Formula: C16H20ClNO2 MolecularWeight: 293.7885

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(CN1)C)(C#C)OC(=O)C2=CC=CC=C2.Cl

Isomeric SMILES

CC1CC(C(CN1)C)(C#C)OC(=O)C2=CC=CC=C2.Cl

InChI

InChI=1S/C16H19NO2.ClH/c1-4-16(10-13(3)17-11-12(16)2)19-15(18)14-8-6-5-7-9-14;/h1,5-9,12-13,17H,10-11H2,2-3H3;1H