decanoate; trihexyl(methyl)azanium

Systemtic Name: decanoate; trihexyl(methyl)azanium Openeye Name: decanoate; trihexyl(methyl)ammonium CAS Name: decanoate; trihexyl(methyl)ammonium IUPAC Name: decanoate; trihexyl(methyl)azanium Traditional Name: caprate; trihexyl(methyl)ammonium Formula: C29H61NO2 MolecularWeight: 455.80014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)[O-].CCCCCC[N+](C)(CCCCCC)CCCCCC

Isomeric SMILES

CCCCCCCCCC(=O)[O-].CCCCCC[N+](C)(CCCCCC)CCCCCC

InChI

InChI=1S/C19H42N.C10H20O2/c1-5-8-11-14-17-20(4,18-15-12-9-6-2)19-16-13-10-7-3;1-2-3-4-5-6-7-8-9-10(11)12/h5-19H2,1-4H3;2-9H2,1H3,(H,11,12)/q+1;/p-1