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

Systemtic Name: 4-methyl-1-octadecyl-quinolin-1-ium iodide Openeye Name: 4-methyl-1-octadecyl-quinolin-1-ium iodide CAS Name: 4-methyl-1-octadecylquinolin-1-ium iodide IUPAC Name: 4-methyl-1-octadecylquinolin-1-ium iodide Traditional Name: 4-methyl-1-stearyl-quinolin-1-ium iodide Formula: C28H46IN MolecularWeight: 523.57601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)C.[I-]

InChI

InChI=1S/C28H46N.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-29-25-23-26(2)27-21-18-19-22-28(27)29;/h18-19,21-23,25H,3-17,20,24H2,1-2H3;1H/q+1;/p-1