(2R)-2-(3-bromanylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: (2R)-2-(3-bromanylphenoxy)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-bromophenoxy)propan-1-one CAS Name: (2R)-2-(3-bromophenoxy)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-bromophenoxy)propan-1-one Traditional Name: (2R)-1-(4-benzylpiperazin-4-ium-1-yl)-2-(3-bromophenoxy)propan-1-one Formula: C20H24BrN2O2+ MolecularWeight: 404.32076

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC(=CC=C3)Br

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)CC2=CC=CC=C2)OC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H23BrN2O2/c1-16(25-19-9-5-8-18(21)14-19)20(24)23-12-10-22(11-13-23)15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3/p+1/t16-/m1/s1