[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-bis(phenylmethyl)azanium

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-bis(phenylmethyl)azanium Openeye Name: dibenzyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]ammonium CAS Name: [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]azanium Traditional Name: dibenzyl-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]ammonium Formula: C24H28N5O+ MolecularWeight: 402.51202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C[NH+](CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N5O/c30-23(28-14-16-29(17-15-28)24-25-12-7-13-26-24)20-27(18-21-8-3-1-4-9-21)19-22-10-5-2-6-11-22/h1-13H,14-20H2/p+1