methyl-tri(octanoyl)azanium ethanoate

Systemtic Name: methyl-tri(octanoyl)azanium ethanoate Openeye Name: methyl-tri(octanoyl)ammonium acetate CAS Name: methyl-tris(1-oxooctyl)ammonium acetate IUPAC Name: methyl-tri(octanoyl)azanium acetate Traditional Name: tricaprylyl(methyl)ammonium acetate Formula: C27H51NO5 MolecularWeight: 469.69754

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)[N+](C)(C(=O)CCCCCCC)C(=O)CCCCCCC.CC(=O)[O-]

Isomeric SMILES

CCCCCCCC(=O)[N+](C)(C(=O)CCCCCCC)C(=O)CCCCCCC.CC(=O)[O-]

InChI

InChI=1S/C25H48NO3.C2H4O2/c1-5-8-11-14-17-20-23(27)26(4,24(28)21-18-15-12-9-6-2)25(29)22-19-16-13-10-7-3;1-2(3)4/h5-22H2,1-4H3;1H3,(H,3,4)/q+1;/p-1