(2R)-1-(2-bromanylphenoxy)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol

Systemtic Name: (2R)-1-(2-bromanylphenoxy)-3-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (2R)-1-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3-(2-bromophenoxy)propan-2-ol CAS Name: (2R)-1-(2-bromophenoxy)-3-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2R)-1-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3-(2-bromophenoxy)propan-2-ol Traditional Name: (2R)-1-(4-benzhydrylpiperazine-1,4-diium-1-yl)-3-(2-bromophenoxy)propan-2-ol Formula: C26H31BrN2O2+2 MolecularWeight: 483.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC(COC2=CC=CC=C2Br)O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CC[NH+]1C[C@H](COC2=CC=CC=C2Br)O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29BrN2O2/c27-24-13-7-8-14-25(24)31-20-23(30)19-28-15-17-29(18-16-28)26(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,23,26,30H,15-20H2/p+2/t23-/m1/s1