(2R)-1-(4-cyclohexylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(4-cyclohexylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-cyclohexylphenoxy)propan-2-ol CAS Name: (2R)-1-(4-cyclohexylphenoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-cyclohexylphenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-cyclohexylphenoxy)propan-2-ol Formula: C26H37N2O2+ MolecularWeight: 409.58418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC(CN3CC[NH+](CC3)CC4=CC=CC=C4)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC[C@@H](CN3CC[NH+](CC3)CC4=CC=CC=C4)O

InChI

InChI=1S/C26H36N2O2/c29-25(20-28-17-15-27(16-18-28)19-22-7-3-1-4-8-22)21-30-26-13-11-24(12-14-26)23-9-5-2-6-10-23/h1,3-4,7-8,11-14,23,25,29H,2,5-6,9-10,15-21H2/p+1/t25-/m1/s1