(2S)-1-(2-bromanylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-(2-bromanylphenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol Openeye Name: (2S)-1-(2-bromophenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol CAS Name: (2S)-1-(2-bromophenoxy)-3-(1-piperazine-1,4-diiumyl)-2-propanol IUPAC Name: (2S)-1-(2-bromophenoxy)-3-piperazine-1,4-diium-1-ylpropan-2-ol Traditional Name: (2S)-1-(2-bromophenoxy)-3-piperazine-1,4-diium-1-yl-propan-2-ol Formula: C13H21BrN2O2+2 MolecularWeight: 317.22204

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC(COC2=CC=CC=C2Br)O

Isomeric SMILES

C1C[NH+](CC[NH2+]1)C[C@@H](COC2=CC=CC=C2Br)O

InChI

InChI=1S/C13H19BrN2O2/c14-12-3-1-2-4-13(12)18-10-11(17)9-16-7-5-15-6-8-16/h1-4,11,15,17H,5-10H2/p+2/t11-/m0/s1