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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-methyl-1,4-diazepane-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-methyl-1,4-diazepane-1,4-diium Formula: C13H21BrN2+2 MolecularWeight: 285.22324

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC[NH+](CC1)CC2=CC(=CC=C2)Br

Isomeric SMILES

C[NH+]1CCC[NH+](CC1)CC2=CC(=CC=C2)Br

InChI

InChI=1S/C13H19BrN2/c1-15-6-3-7-16(9-8-15)11-12-4-2-5-13(14)10-12/h2,4-5,10H,3,6-9,11H2,1H3/p+2