1-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-bromophenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-bromophenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(3-bromobenzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C19H22BrN2O+ MolecularWeight: 374.29478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C19H21BrN2O/c1-15(23)17-5-7-19(8-6-17)22-11-9-21(10-12-22)14-16-3-2-4-18(20)13-16/h2-8,13H,9-12,14H2,1H3/p+1