(2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(phenylmethyl)piperidin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(1-ethynylcyclohexoxy)propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(phenylmethyl)-1-piperidin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol Traditional Name: (2S)-1-(4-benzylpiperidin-1-ium-1-yl)-3-(1-ethynylcyclohexoxy)propan-2-ol Formula: C23H34NO2+ MolecularWeight: 356.52156

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OCC(C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

Isomeric SMILES

C#CC1(CCCCC1)OC[C@H](C[NH+]2CCC(CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C23H33NO2/c1-2-23(13-7-4-8-14-23)26-19-22(25)18-24-15-11-21(12-16-24)17-20-9-5-3-6-10-20/h1,3,5-6,9-10,21-22,25H,4,7-8,11-19H2/p+1/t22-/m0/s1