1-[(4-bromophenyl)methyl]-1,4-diazepane-1,4-diium

Systemtic Name: 1-[(4-bromophenyl)methyl]-1,4-diazepane-1,4-diium Openeye Name: 1-[(4-bromophenyl)methyl]-1,4-diazepane-1,4-diium CAS Name: 1-[(4-bromophenyl)methyl]-1,4-diazepane-1,4-diium IUPAC Name: 1-[(4-bromophenyl)methyl]-1,4-diazepane-1,4-diium Traditional Name: 1-(4-bromobenzyl)-1,4-diazepane-1,4-diium Formula: C12H19BrN2+2 MolecularWeight: 271.19666

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CC[NH+](C1)CC2=CC=C(C=C2)Br

Isomeric SMILES

C1C[NH2+]CC[NH+](C1)CC2=CC=C(C=C2)Br

InChI

InChI=1S/C12H17BrN2/c13-12-4-2-11(3-5-12)10-15-8-1-6-14-7-9-15/h2-5,14H,1,6-10H2/p+2