1-methyl-1-octyl-4-pyridin-4-yl-piperazin-1-ium iodide

Systemtic Name: 1-methyl-1-octyl-4-pyridin-4-yl-piperazin-1-ium iodide Openeye Name: 1-methyl-1-octyl-4-(4-pyridyl)piperazin-1-ium iodide CAS Name: 1-methyl-1-octyl-4-pyridin-4-ylpiperazin-1-ium iodide IUPAC Name: 1-methyl-1-octyl-4-pyridin-4-ylpiperazin-1-ium iodide Traditional Name: 1-methyl-1-octyl-4-(4-pyridyl)piperazin-1-ium iodide Formula: C18H32IN3 MolecularWeight: 417.37125

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(CCN(CC1)C2=CC=NC=C2)C.[I-]

Isomeric SMILES

CCCCCCCC[N+]1(CCN(CC1)C2=CC=NC=C2)C.[I-]

InChI

InChI=1S/C18H32N3.HI/c1-3-4-5-6-7-8-15-21(2)16-13-20(14-17-21)18-9-11-19-12-10-18;/h9-12H,3-8,13-17H2,1-2H3;1H/q+1;/p-1