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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2Br)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2Br)C3=CC=CC=[NH+]3

InChI

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