2,3-di(docosyl)-4,5-dihydro-1H-imidazol-3-ium; hexadecyl(trimethyl)azanium

Systemtic Name: 2,3-di(docosyl)-4,5-dihydro-1H-imidazol-3-ium; hexadecyl(trimethyl)azanium Openeye Name: 2,3-di(docosyl)-4,5-dihydro-1H-imidazol-3-ium; hexadecyl(trimethyl)ammonium CAS Name: 2,3-di(docosyl)-4,5-dihydro-1H-imidazol-3-ium; hexadecyl(trimethyl)ammonium IUPAC Name: 2,3-di(docosyl)-4,5-dihydro-1H-imidazol-3-ium; hexadecyl(trimethyl)azanium Traditional Name: cetyl(trimethyl)ammonium; 1,2-dibehenyl-2-imidazolin-1-ium Formula: C66H137N3+2 MolecularWeight: 972.81408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1)CCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCC1=[N+](CCN1)CCCCCCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCC[N+](C)(C)C

InChI

InChI=1S/C47H94N2.C19H42N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-47-48-44-46-49(47)45-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4/h3-46H2,1-2H3;5-19H2,1-4H3/q;+1/p+1