(2R)-1-[4-(2-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol

Systemtic Name: (2R)-1-[4-(2-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Openeye Name: (2R)-1-[4-(2-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol CAS Name: (2R)-1-[4-(2-ethylphenyl)-1-piperazin-1-iumyl]-3-(4-phenylphenoxy)-2-propanol IUPAC Name: (2R)-1-[4-(2-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Traditional Name: (2R)-1-[4-(2-ethylphenyl)piperazin-1-ium-1-yl]-3-(4-phenylphenoxy)propan-2-ol Formula: C27H33N2O2+ MolecularWeight: 417.56312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2CC[NH+](CC2)CC(COC3=CC=C(C=C3)C4=CC=CC=C4)O

Isomeric SMILES

CCC1=CC=CC=C1N2CC[NH+](CC2)C[C@H](COC3=CC=C(C=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H32N2O2/c1-2-22-8-6-7-11-27(22)29-18-16-28(17-19-29)20-25(30)21-31-26-14-12-24(13-15-26)23-9-4-3-5-10-23/h3-15,25,30H,2,16-21H2,1H3/p+1/t25-/m1/s1