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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(4-pyridylmethyl)piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-(4-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=NC=C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

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

InChI

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