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

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-ethynylcyclohexoxy)propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-ethynylcyclohexyl)oxypropan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(1-ethynylcyclohexoxy)propan-2-ol Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1(CCCCC1)OCC(CN2CC[NH+](CC2)CC3=CC=CC=C3)O

Isomeric SMILES

C#CC1(CCCCC1)OC[C@H](CN2CC[NH+](CC2)CC3=CC=CC=C3)O

InChI

InChI=1S/C22H32N2O2/c1-2-22(11-7-4-8-12-22)26-19-21(25)18-24-15-13-23(14-16-24)17-20-9-5-3-6-10-20/h1,3,5-6,9-10,21,25H,4,7-8,11-19H2/p+1/t21-/m0/s1