octanoate; trihexyl(methyl)azanium

Systemtic Name: octanoate; trihexyl(methyl)azanium Openeye Name: octanoate; trihexyl(methyl)ammonium CAS Name: octanoate; trihexyl(methyl)ammonium IUPAC Name: octanoate; trihexyl(methyl)azanium Traditional Name: caprylate; trihexyl(methyl)ammonium Formula: C27H57NO2 MolecularWeight: 427.74698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C8H16O2/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/h5-19H2,1-4H3;2-7H2,1H3,(H,9,10)/q+1;/p-1