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

Systemtic Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(1-ethynylcyclohexoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: (2S)-1-(1-ethynylcyclohexyl)oxy-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: (2S)-1-(1-ethynylcyclohexoxy)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(COC3(CCCCC3)C#C)O

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)C[C@@H](COC3(CCCCC3)C#C)O

InChI

InChI=1S/C22H32N2O3/c1-3-22(11-5-4-6-12-22)27-18-20(25)17-23-13-15-24(16-14-23)19-7-9-21(26-2)10-8-19/h1,7-10,20,25H,4-6,11-18H2,2H3/p+1/t20-/m0/s1