1-[5-(4-fluorophenyl)-6-pyridin-4-yl-pyridin-2-yl]-1-(phenylmethyl)piperazin-1-ium

Systemtic Name: 1-[5-(4-fluorophenyl)-6-pyridin-4-yl-pyridin-2-yl]-1-(phenylmethyl)piperazin-1-ium Openeye Name: 1-benzyl-1-[5-(4-fluorophenyl)-6-(4-pyridyl)-2-pyridyl]piperazin-1-ium CAS Name: 1-[5-(4-fluorophenyl)-6-pyridin-4-yl-2-pyridinyl]-1-(phenylmethyl)piperazin-1-ium IUPAC Name: 1-benzyl-1-[5-(4-fluorophenyl)-6-pyridin-4-ylpyridin-2-yl]piperazin-1-ium Traditional Name: 1-benzyl-1-[5-(4-fluorophenyl)-6-(4-pyridyl)-2-pyridyl]piperazin-1-ium Formula: C27H26FN4+ MolecularWeight: 425.520543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=NC(=C(C=C3)C4=CC=C(C=C4)F)C5=CC=NC=C5

Isomeric SMILES

C1C[N+](CCN1)(CC2=CC=CC=C2)C3=NC(=C(C=C3)C4=CC=C(C=C4)F)C5=CC=NC=C5

InChI

InChI=1S/C27H26FN4/c28-24-8-6-22(7-9-24)25-10-11-26(31-27(25)23-12-14-29-15-13-23)32(18-16-30-17-19-32)20-21-4-2-1-3-5-21/h1-15,30H,16-20H2/q+1