1-octadecyl-4-pyridin-4-yl-pyridin-1-ium iodide

Systemtic Name: 1-octadecyl-4-pyridin-4-yl-pyridin-1-ium iodide Openeye Name: 1-octadecyl-4-(4-pyridyl)pyridin-1-ium iodide CAS Name: 1-octadecyl-4-pyridin-4-ylpyridin-1-ium iodide IUPAC Name: 1-octadecyl-4-pyridin-4-ylpyridin-1-ium iodide Traditional Name: 4-(4-pyridyl)-1-stearyl-pyridin-1-ium iodide Formula: C28H45IN2 MolecularWeight: 536.57477

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=NC=C2.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C=C1)C2=CC=NC=C2.[I-]

InChI

InChI=1S/C28H45N2.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-25-20-28(21-26-30)27-18-22-29-23-19-27;/h18-23,25-26H,2-17,24H2,1H3;1H/q+1;/p-1