butanoate; methyl(trioctyl)azanium

Systemtic Name: butanoate; methyl(trioctyl)azanium Openeye Name: butanoate; methyl(trioctyl)ammonium CAS Name: butanoate; methyl(trioctyl)ammonium IUPAC Name: butanoate; methyl(trioctyl)azanium Traditional Name: butyrate; methyl(trioctyl)ammonium Formula: C29H61NO2 MolecularWeight: 455.80014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H54N.C4H8O2/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;1-2-3-4(5)6/h5-25H2,1-4H3;2-3H2,1H3,(H,5,6)/q+1;/p-1