(2S,5S)-2,5-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride

Systemtic Name: (2S,5S)-2,5-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Openeye Name: (2S,5S)-2,5-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride CAS Name: (2S,5S)-2,5-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride IUPAC Name: (2S,5S)-2,5-dimethyl-1-(3-phenylprop-2-ynyl)piperidin-1-ium chloride Traditional Name: (2S,5S)-2,5-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+](C1)CC#CC2=CC=CC=C2)C.[Cl-]

Isomeric SMILES

C[C@H]1CC[C@@H]([NH+](C1)CC#CC2=CC=CC=C2)C.[Cl-]

InChI

InChI=1S/C16H21N.ClH/c1-14-10-11-15(2)17(13-14)12-6-9-16-7-4-3-5-8-16;/h3-5,7-8,14-15H,10-13H2,1-2H3;1H/t14-,15-;/m0./s1