(2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Openeye Name: (2S)-1-(1-ethynylcyclohexoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methyl-1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Traditional Name: (2S)-1-(1-ethynylcyclohexoxy)-3-(4-methylpiperidin-1-ium-1-yl)propan-2-ol Formula: C17H30NO2+ MolecularWeight: 280.4256

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(COC2(CCCCC2)C#C)O

Isomeric SMILES

CC1CC[NH+](CC1)C[C@@H](COC2(CCCCC2)C#C)O

InChI

InChI=1S/C17H29NO2/c1-3-17(9-5-4-6-10-17)20-14-16(19)13-18-11-7-15(2)8-12-18/h1,15-16,19H,4-14H2,2H3/p+1/t16-/m0/s1