1-(5-bromanyl-6-pyridin-4-yl-pyridin-2-yl)-1-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-(5-bromanyl-6-pyridin-4-yl-pyridin-2-yl)-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-1-[5-bromo-6-(4-pyridyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-(5-bromo-6-pyridin-4-yl-2-pyridinyl)-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-1-(5-bromo-6-pyridin-4-ylpyridin-2-yl)piperazin-1-ium Traditional Name: 1-benzyl-1-[5-bromo-6-(4-pyridyl)-2-pyridyl]piperazin-1-ium Formula: C21H22BrN4+ MolecularWeight: 410.33018

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=NC(=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=NC(=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C21H22BrN4/c22-19-6-7-20(25-21(19)18-8-10-23-11-9-18)26(14-12-24-13-15-26)16-17-4-2-1-3-5-17/h1-11,24H,12-16H2/q+1