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

Systemtic Name: (2S)-1-(4-bromanylphenoxy)-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol CAS Name: (2S)-1-(4-bromophenoxy)-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-propanol IUPAC Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol Traditional Name: (2S)-1-(4-benzylpiperazin-4-ium-1-yl)-3-(4-bromophenoxy)propan-2-ol Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(COC3=CC=C(C=C3)Br)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@@H](COC3=CC=C(C=C3)Br)O

InChI

InChI=1S/C20H25BrN2O2/c21-18-6-8-20(9-7-18)25-16-19(24)15-23-12-10-22(11-13-23)14-17-4-2-1-3-5-17/h1-9,19,24H,10-16H2/p+1/t19-/m0/s1