1-hexadecyl-4-methyl-quinolin-1-ium bromide

Systemtic Name: 1-hexadecyl-4-methyl-quinolin-1-ium bromide Openeye Name: 1-hexadecyl-4-methyl-quinolin-1-ium bromide CAS Name: 1-hexadecyl-4-methylquinolin-1-ium bromide IUPAC Name: 1-hexadecyl-4-methylquinolin-1-ium bromide Traditional Name: 1-cetyl-4-methyl-quinolin-1-ium bromide Formula: C26H42BrN MolecularWeight: 448.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=C(C2=CC=CC=C21)C.[Br-]

InChI

InChI=1S/C26H42N.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-27-23-21-24(2)25-19-16-17-20-26(25)27;/h16-17,19-21,23H,3-15,18,22H2,1-2H3;1H/q+1;/p-1