1-methyl-5-octadecoxy-4-octadecyl-quinolin-1-ium iodide

Systemtic Name: 1-methyl-5-octadecoxy-4-octadecyl-quinolin-1-ium iodide Openeye Name: 1-methyl-5-octadecoxy-4-octadecyl-quinolin-1-ium iodide CAS Name: 1-methyl-5-octadecoxy-4-octadecylquinolin-1-ium iodide IUPAC Name: 1-methyl-5-octadecoxy-4-octadecylquinolin-1-ium iodide Traditional Name: 1-methyl-4-stearyl-5-stearyloxy-quinolin-1-ium iodide Formula: C46H82INO MolecularWeight: 792.05385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=C2C(=[N+](C=C1)C)C=CC=C2OCCCCCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=C2C(=[N+](C=C1)C)C=CC=C2OCCCCCCCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C46H82NO.HI/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37-43-40-41-47(3)44-38-36-39-45(46(43)44)48-42-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h36,38-41H,4-35,37,42H2,1-3H3;1H/q+1;/p-1