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

Systemtic Name: (2S)-1-(2-methylpent-4-yn-2-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1,1-dimethylbut-3-ynoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(2-methylpent-4-yn-2-yloxy)-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(2-methylpent-4-yn-2-yloxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1,1-dimethylbut-3-ynoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C15H28NO2+ MolecularWeight: 254.38832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H27NO2/c1-5-8-15(3,4)18-12-14(17)11-16-9-6-13(2)7-10-16/h1,13-14,17H,6-12H2,2-4H3/p+1/t14-/m0/s1