2-hexadecylisoquinolin-2-ium triiodide

Systemtic Name: 2-hexadecylisoquinolin-2-ium triiodide Openeye Name: 2-hexadecylisoquinolin-2-ium triiodide CAS Name: 2-hexadecylisoquinolin-2-ium triiodide IUPAC Name: 2-hexadecylisoquinolin-2-ium triiodide Traditional Name: 2-cetylisoquinolin-2-ium triiodide Formula: C25H40I3N MolecularWeight: 735.30521

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N.I3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-26-22-20-24-18-15-16-19-25(24)23-26;1-3-2/h15-16,18-20,22-23H,2-14,17,21H2,1H3;/q+1;-1