diethyl-[[2-[[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]methyl]phenyl]methyl]azanium

Systemtic Name: diethyl-[[2-[[(4-pyrimidin-2-ylpiperazin-1-yl)carbonylamino]methyl]phenyl]methyl]azanium Openeye Name: diethyl-[[2-[[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]methyl]phenyl]methyl]ammonium CAS Name: diethyl-[[2-[[[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]amino]methyl]phenyl]methyl]ammonium IUPAC Name: diethyl-[[2-[[(4-pyrimidin-2-ylpiperazine-1-carbonyl)amino]methyl]phenyl]methyl]azanium Traditional Name: diethyl-[2-[[[4-(2-pyrimidyl)piperazine-1-carbonyl]amino]methyl]benzyl]ammonium Formula: C21H31N6O+ MolecularWeight: 383.51044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC[NH+](CC)CC1=CC=CC=C1CNC(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C21H30N6O/c1-3-25(4-2)17-19-9-6-5-8-18(19)16-24-21(28)27-14-12-26(13-15-27)20-22-10-7-11-23-20/h5-11H,3-4,12-17H2,1-2H3,(H,24,28)/p+1