(2S,4R,5S)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenyl-piperidin-1-ium-4-ol

Systemtic Name: (2S,4R,5S)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenyl-piperidin-1-ium-4-ol Openeye Name: (2S,4R,5S)-1-(1,1-dimethylprop-2-ynyl)-2,5-dimethyl-4-phenyl-piperidin-1-ium-4-ol CAS Name: (2S,4R,5S)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenyl-4-piperidin-1-iumol IUPAC Name: (2S,4R,5S)-2,5-dimethyl-1-(2-methylbut-3-yn-2-yl)-4-phenylpiperidin-1-ium-4-ol Traditional Name: (2S,4R,5S)-1-(1,1-dimethylprop-2-ynyl)-2,5-dimethyl-4-phenyl-piperidin-1-ium-4-ol Formula: C18H26NO+ MolecularWeight: 272.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[NH+]1C(C)(C)C#C)C)(C2=CC=CC=C2)O

Isomeric SMILES

C[C@H]1C[C@@]([C@H](C[NH+]1C(C)(C)C#C)C)(C2=CC=CC=C2)O

InChI

InChI=1S/C18H25NO/c1-6-17(4,5)19-13-14(2)18(20,12-15(19)3)16-10-8-7-9-11-16/h1,7-11,14-15,20H,12-13H2,2-5H3/p+1/t14-,15-,18+/m0/s1