(2S)-1-(2-bromanylphenoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol

Systemtic Name: (2S)-1-(2-bromanylphenoxy)-3-[4-(diphenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-bromophenoxy)propan-2-ol CAS Name: (2S)-1-(2-bromophenoxy)-3-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-bromophenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-3-(2-bromophenoxy)propan-2-ol Formula: C26H30BrN2O2+ MolecularWeight: 482.4326

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)CC(COC4=CC=CC=C4Br)O

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C[C@@H](COC4=CC=CC=C4Br)O

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+1/t23-/m0/s1