1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol

Systemtic Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Openeye Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol CAS Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)-1-piperazin-1-iumyl]-2-propanol IUPAC Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Traditional Name: 1-(4-tert-butylphenoxy)-3-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]propan-2-ol Formula: C23H32FN2O2+ MolecularWeight: 387.510783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(C[NH+]2CCN(CC2)C3=CC=CC=C3F)O

InChI

InChI=1S/C23H31FN2O2/c1-23(2,3)18-8-10-20(11-9-18)28-17-19(27)16-25-12-14-26(15-13-25)22-7-5-4-6-21(22)24/h4-11,19,27H,12-17H2,1-3H3/p+1