(2S)-1-(2-methylpent-4-yn-2-yloxy)-3-piperidin-1-ium-1-yl-propan-2-ol

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC#C)OCC(C[NH+]1CCCCC1)O

Isomeric SMILES

CC(C)(CC#C)OC[C@H](C[NH+]1CCCCC1)O

InChI

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