docosyl(dimethyl)azanium; hexanoate

Systemtic Name: docosyl(dimethyl)azanium; hexanoate Openeye Name: docosyl(dimethyl)ammonium; hexanoate CAS Name: docosyl(dimethyl)ammonium; hexanoate IUPAC Name: docosyl(dimethyl)azanium; hexanoate Traditional Name: behenyl(dimethyl)ammonium; hexanoate Formula: C30H63NO2 MolecularWeight: 469.82672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[NH+](C)C.CCCCCC(=O)[O-]

InChI

InChI=1S/C24H51N.C6H12O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(2)3;1-2-3-4-5-6(7)8/h4-24H2,1-3H3;2-5H2,1H3,(H,7,8)