1-hydroxyethyl-dimethyl-octadecyl-azanium; propanoate

Systemtic Name: 1-hydroxyethyl-dimethyl-octadecyl-azanium; propanoate Openeye Name: 1-hydroxyethyl-dimethyl-octadecyl-ammonium; propanoate CAS Name: 1-hydroxyethyl-dimethyl-octadecylammonium; propanoate IUPAC Name: 1-hydroxyethyl-dimethyl-octadecylazanium; propanoate Traditional Name: 1-hydroxyethyl-dimethyl-stearyl-ammonium; propionate Formula: C25H53NO3 MolecularWeight: 415.69322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)O.CCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)C(C)O.CCC(=O)[O-]

InChI

InChI=1S/C22H48NO.C3H6O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(3,4)22(2)24;1-2-3(4)5/h22,24H,5-21H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1