2-octylisoquinolin-2-ium iodide

Systemtic Name: 2-octylisoquinolin-2-ium iodide Openeye Name: 2-octylisoquinolin-2-ium iodide CAS Name: 2-octylisoquinolin-2-ium iodide IUPAC Name: 2-octylisoquinolin-2-ium iodide Traditional Name: 2-octylisoquinolin-2-ium iodide Formula: C17H24IN MolecularWeight: 369.28363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[I-]

Isomeric SMILES

CCCCCCCC[N+]1=CC2=CC=CC=C2C=C1.[I-]

InChI

InChI=1S/C17H24N.HI/c1-2-3-4-5-6-9-13-18-14-12-16-10-7-8-11-17(16)15-18;/h7-8,10-12,14-15H,2-6,9,13H2,1H3;1H/q+1;/p-1