1-[(3-bromophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[(3-bromophenyl)methyl]piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[(3-bromophenyl)methyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-(3-bromobenzyl)piperazine-1,4-diium Formula: C18H23BrN2+2 MolecularWeight: 347.29262

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H21BrN2/c19-18-8-4-7-17(13-18)15-21-11-9-20(10-12-21)14-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2/p+2