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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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