1-[(4-bromophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[(4-bromophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[(4-bromophenyl)methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[(4-bromophenyl)methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[(4-bromophenyl)methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-(4-bromobenzyl)-4-pyridin-1-ium-2-yl-piperazine Formula: C16H19BrN3+ MolecularWeight: 333.24616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)Br)C3=CC=CC=[NH+]3

InChI

InChI=1S/C16H18BrN3/c17-15-6-4-14(5-7-15)13-19-9-11-20(12-10-19)16-3-1-2-8-18-16/h1-8H,9-13H2/p+1