1-[(2-bromophenyl)methyl]-1,4-diazepan-1-ium

Systemtic Name: 1-[(2-bromophenyl)methyl]-1,4-diazepan-1-ium Openeye Name: 1-[(2-bromophenyl)methyl]-1,4-diazepan-1-ium CAS Name: 1-[(2-bromophenyl)methyl]-1,4-diazepan-1-ium IUPAC Name: 1-[(2-bromophenyl)methyl]-1,4-diazepan-1-ium Traditional Name: 1-(2-bromobenzyl)-1,4-diazepan-1-ium Formula: C12H18BrN2+ MolecularWeight: 270.18872

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC[NH+](C1)CC2=CC=CC=C2Br

Isomeric SMILES

C1CNCC[NH+](C1)CC2=CC=CC=C2Br

InChI

InChI=1S/C12H17BrN2/c13-12-5-2-1-4-11(12)10-15-8-3-6-14-7-9-15/h1-2,4-5,14H,3,6-10H2/p+1