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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(3-bromophenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(3-bromophenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(3-bromobenzyl)-4-methyl-piperazine-1,4-diium Formula: C12H19BrN2+2 MolecularWeight: 271.19666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17BrN2/c1-14-5-7-15(8-6-14)10-11-3-2-4-12(13)9-11/h2-4,9H,5-8,10H2,1H3/p+2