1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(4-bromophenyl)methyl]-4-(2-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(4-bromophenyl)methyl]-4-(2-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(4-bromophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(4-bromobenzyl)-4-(2-pyridylmethyl)piperazine-1,4-diium Formula: C17H22BrN3+2 MolecularWeight: 348.28068

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Br)CC3=CC=CC=N3

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=C(C=C2)Br)CC3=CC=CC=N3

InChI

InChI=1S/C17H20BrN3/c18-16-6-4-15(5-7-16)13-20-9-11-21(12-10-20)14-17-3-1-2-8-19-17/h1-8H,9-14H2/p+2