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

Systemtic Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium Openeye Name: 1-[(3-bromophenyl)methyl]-4-(4-pyridylmethyl)piperazin-4-ium CAS Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium IUPAC Name: 1-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethyl)piperazin-4-ium Traditional Name: 1-(3-bromobenzyl)-4-(4-pyridylmethyl)piperazin-4-ium Formula: C17H21BrN3+ MolecularWeight: 347.27274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN3/c18-17-3-1-2-16(12-17)14-21-10-8-20(9-11-21)13-15-4-6-19-7-5-15/h1-7,12H,8-11,13-14H2/p+1