2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C27H31F2N6O+ MolecularWeight: 493.571446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)N2CCN(CC2)C3=NC=CC=N3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H30F2N6O/c28-23-6-2-21(3-7-23)26(22-4-8-24(29)9-5-22)34-14-12-32(13-15-34)20-25(36)33-16-18-35(19-17-33)27-30-10-1-11-31-27/h1-11,26H,12-20H2/p+1