3-bromanyl-1-octadecyl-pyridin-1-ium iodide

Systemtic Name: 3-bromanyl-1-octadecyl-pyridin-1-ium iodide Openeye Name: 3-bromo-1-octadecyl-pyridin-1-ium iodide CAS Name: 3-bromo-1-octadecylpyridin-1-ium iodide IUPAC Name: 3-bromo-1-octadecylpyridin-1-ium iodide Traditional Name: 3-bromo-1-stearyl-pyridin-1-ium iodide Formula: C23H41BrIN MolecularWeight: 538.38681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)Br.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=CC(=C1)Br.[I-]

InChI

InChI=1S/C23H41BrN.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25-21-18-19-23(24)22-25;/h18-19,21-22H,2-17,20H2,1H3;1H/q+1;/p-1