4-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(4-bromophenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(4-bromophenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(4-bromobenzyl)piperazin-4-ium-1-yl]phenol Formula: C17H20BrN2O+ MolecularWeight: 348.2575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19BrN2O/c18-15-3-1-14(2-4-15)13-19-9-11-20(12-10-19)16-5-7-17(21)8-6-16/h1-8,21H,9-13H2/p+1