2-hexadecylisoquinolin-2-ium iodide

Systemtic Name: 2-hexadecylisoquinolin-2-ium iodide Openeye Name: 2-hexadecylisoquinolin-2-ium iodide CAS Name: 2-hexadecylisoquinolin-2-ium iodide IUPAC Name: 2-hexadecylisoquinolin-2-ium iodide Traditional Name: 2-cetylisoquinolin-2-ium iodide Formula: C25H40IN MolecularWeight: 481.49627

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40N.HI/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;/h15-16,18-20,22-23H,2-14,17,21H2,1H3;1H/q+1;/p-1