dihexadecyl(dimethyl)azanium; 2-ethylhexanoate

Systemtic Name: dihexadecyl(dimethyl)azanium; 2-ethylhexanoate Openeye Name: dihexadecyl(dimethyl)ammonium; 2-ethylhexanoate CAS Name: dihexadecyl(dimethyl)ammonium; 2-ethylhexanoate IUPAC Name: dihexadecyl(dimethyl)azanium; 2-ethylhexanoate Traditional Name: dicetyl(dimethyl)ammonium; 2-ethylhexanoate Formula: C42H87NO2 MolecularWeight: 638.14568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H72N.C8H16O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-3-5-6-7(4-2)8(9)10/h5-34H2,1-4H3;7H,3-6H2,1-2H3,(H,9,10)/q+1;/p-1