[2-propyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentyl]azanium

Systemtic Name: [2-propyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentyl]azanium Openeye Name: [2-propyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentyl]ammonium CAS Name: [2-propyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]pentyl]ammonium IUPAC Name: [2-propyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)pentyl]azanium Traditional Name: [2-propyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]pentyl]ammonium Formula: C16H31N5+2 MolecularWeight: 293.45084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)(C[NH3+])[NH+]1CCN(CC1)C2=NC=CC=N2

Isomeric SMILES

CCCC(CCC)(C[NH3+])[NH+]1CCN(CC1)C2=NC=CC=N2

InChI

InChI=1S/C16H29N5/c1-3-6-16(14-17,7-4-2)21-12-10-20(11-13-21)15-18-8-5-9-19-15/h5,8-9H,3-4,6-7,10-14,17H2,1-2H3/p+2