(2S,6R)-2,6-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride

Systemtic Name: (2S,6R)-2,6-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Openeye Name: (2S,6R)-2,6-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride CAS Name: (2S,6R)-2,6-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride IUPAC Name: (2S,6R)-2,6-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Traditional Name: (2S,6R)-2,6-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Formula: C16H22ClN MolecularWeight: 263.80558

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC#CC2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

C[C@@H]1CCC[C@@H]([NH+]1CC#CC2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C16H21N.ClH/c1-14-8-6-9-15(2)17(14)13-7-12-16-10-4-3-5-11-16;/h3-5,10-11,14-15H,6,8-9,13H2,1-2H3;1H/t14-,15+;