2-[bis(2-hydroxyethyl)amino]ethanol; hexadecyl(trimethyl)azanium; octadecanoate; bromide

Systemtic Name: 2-[bis(2-hydroxyethyl)amino]ethanol; hexadecyl(trimethyl)azanium; octadecanoate; bromide Openeye Name: 2-[bis(2-hydroxyethyl)amino]ethanol; hexadecyl(trimethyl)ammonium; octadecanoate; bromide CAS Name: 2-[bis(2-hydroxyethyl)amino]ethanol; hexadecyl(trimethyl)ammonium; octadecanoate; bromide IUPAC Name: 2-[bis(2-hydroxyethyl)amino]ethanol; hexadecyl(trimethyl)azanium; octadecanoate; bromide Traditional Name: 2-[bis(2-hydroxyethyl)amino]ethanol; cetyl(trimethyl)ammonium; stearate; bromide Formula: C43H92BrN2O5- MolecularWeight: 797.10498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C.C(CO)N(CCO)CCO.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC[N+](C)(C)C.C(CO)N(CCO)CCO.[Br-]

InChI

InChI=1S/C19H42N.C18H36O2.C6H15NO3.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;8-4-1-7(2-5-9)3-6-10;/h5-19H2,1-4H3;2-17H2,1H3,(H,19,20);8-10H,1-6H2;1H/q+1;;;/p-2