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

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

CC1CCC[NH+](C1C)CC#CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

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

InChI

InChI=1S/C16H21N.ClH/c1-14-8-6-12-17(15(14)2)13-7-11-16-9-4-3-5-10-16;/h3-5,9-10,14-15H,6,8,12-13H2,1-2H3;1H/t14-,15+;/m1./s1