(2R)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol

Systemtic Name: (2R)-1-[2-(4-bromanylphenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Openeye Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol CAS Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-phenyl-1-piperazin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Traditional Name: (2R)-1-[2-(4-bromophenoxy)ethoxy]-3-(4-phenylpiperazin-1-ium-1-yl)propan-2-ol Formula: C21H28BrN2O3+ MolecularWeight: 436.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(COCCOC2=CC=C(C=C2)Br)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](COCCOC2=CC=C(C=C2)Br)O)C3=CC=CC=C3

InChI

InChI=1S/C21H27BrN2O3/c22-18-6-8-21(9-7-18)27-15-14-26-17-20(25)16-23-10-12-24(13-11-23)19-4-2-1-3-5-19/h1-9,20,25H,10-17H2/p+1/t20-/m1/s1