2-[4-[(3-bromophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol

Systemtic Name: 2-[4-[(3-bromophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol Openeye Name: 2-[4-[(3-bromophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol CAS Name: 2-[4-[(3-bromophenyl)methyl]-1-piperazine-1,4-diiumyl]ethanol IUPAC Name: 2-[4-[(3-bromophenyl)methyl]piperazine-1,4-diium-1-yl]ethanol Traditional Name: 2-[4-(3-bromobenzyl)piperazine-1,4-diium-1-yl]ethanol Formula: C13H21BrN2O+2 MolecularWeight: 301.22264

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCO)CC2=CC(=CC=C2)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CCO)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H19BrN2O/c14-13-3-1-2-12(10-13)11-16-6-4-15(5-7-16)8-9-17/h1-3,10,17H,4-9,11H2/p+2