ethanoic acid; hexadecyl(trimethyl)azanium; urea; bromide

Systemtic Name: ethanoic acid; hexadecyl(trimethyl)azanium; urea; bromide Openeye Name: acetic acid; hexadecyl(trimethyl)ammonium; urea; bromide CAS Name: acetic acid; hexadecyl(trimethyl)ammonium; urea; bromide IUPAC Name: acetic acid; hexadecyl(trimethyl)azanium; urea; bromide Traditional Name: acetic acid; cetyl(trimethyl)ammonium; urea; bromide Formula: C22H50BrN3O3 MolecularWeight: 484.5547

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(=O)O.C(=O)(N)N.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C.CC(=O)O.C(=O)(N)N.[Br-]

InChI

InChI=1S/C19H42N.C2H4O2.CH4N2O.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2(3)4;2-1(3)4;/h5-19H2,1-4H3;1H3,(H,3,4);(H4,2,3,4);1H/q+1;;;/p-1