(2S)-1-(2-methylbut-3-yn-2-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(2-methylbut-3-yn-2-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1,1-dimethylprop-2-ynoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-methylbut-3-yn-2-yloxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-methylbut-3-yn-2-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1,1-dimethylprop-2-ynoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C14H26NO2+ MolecularWeight: 240.36174

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC(C)(C)C#C)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC(C)(C)C#C)O

InChI

InChI=1S/C14H25NO2/c1-5-14(3,4)17-11-13(16)10-15-8-6-12(2)7-9-15/h1,12-13,16H,6-11H2,2-4H3/p+1/t13-/m0/s1