2,3-bis(oxidanyl)propyl-(2-hydroxyethyl)-dimethyl-azanium; octadecanoate; ethanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl-(2-hydroxyethyl)-dimethyl-azanium; octadecanoate; ethanoate Openeye Name: 2,3-dihydroxypropyl-(2-hydroxyethyl)-dimethyl-ammonium; octadecanoate; acetate CAS Name: 2,3-dihydroxypropyl-(2-hydroxyethyl)-dimethylammonium; octadecanoate; acetate IUPAC Name: 2,3-dihydroxypropyl-(2-hydroxyethyl)-dimethylazanium; octadecanoate; acetate Traditional Name: glyceryl-(2-hydroxyethyl)-dimethyl-ammonium; stearate; acetate Formula: C45H91NO9-2 MolecularWeight: 790.20534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C18H36O2.C7H18NO3.C2H4O2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-8(2,3-4-9)5-7(11)6-10;1-2(3)4/h2*2-17H2,1H3,(H,19,20);7,9-11H,3-6H2,1-2H3;1H3,(H,3,4)/q;;+1;/p-3