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

Systemtic Name: (2S)-1-(4-bromanylphenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Openeye Name: (2S)-1-(4-bromophenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol CAS Name: (2S)-1-(4-bromophenoxy)-3-[4-(2-hydroxyethyl)-1-piperazine-1,4-diiumyl]-2-propanol IUPAC Name: (2S)-1-(4-bromophenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Traditional Name: (2S)-1-(4-bromophenoxy)-3-[4-(2-hydroxyethyl)piperazine-1,4-diium-1-yl]propan-2-ol Formula: C15H25BrN2O3+2 MolecularWeight: 361.2746

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC(COC2=CC=C(C=C2)Br)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)C[C@@H](COC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C15H23BrN2O3/c16-13-1-3-15(4-2-13)21-12-14(20)11-18-7-5-17(6-8-18)9-10-19/h1-4,14,19-20H,5-12H2/p+2/t14-/m0/s1