1-docosylquinolin-1-ium iodide

Systemtic Name: 1-docosylquinolin-1-ium iodide Openeye Name: 1-docosylquinolin-1-ium iodide CAS Name: 1-docosylquinolin-1-ium iodide IUPAC Name: 1-docosylquinolin-1-ium iodide Traditional Name: 1-behenylquinolin-1-ium iodide Formula: C31H52IN MolecularWeight: 565.65575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C21.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+]1=CC=CC2=CC=CC=C21.[I-]

InChI

InChI=1S/C31H52N.HI/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-28-32-29-24-26-30-25-21-22-27-31(30)32;/h21-22,24-27,29H,2-20,23,28H2,1H3;1H/q+1;/p-1