1-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(p-tolylmethyl)piperazin-1-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-[(4-methylphenyl)methyl]piperazin-1-ium Traditional Name: 1-(3-bromobenzyl)-4-(4-methylbenzyl)piperazin-1-ium Formula: C19H24BrN2+ MolecularWeight: 360.31126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H23BrN2/c1-16-5-7-17(8-6-16)14-21-9-11-22(12-10-21)15-18-3-2-4-19(20)13-18/h2-8,13H,9-12,14-15H2,1H3/p+1