potassium; decyl(trimethyl)azanium; octanoate; chloride

Systemtic Name: potassium; decyl(trimethyl)azanium; octanoate; chloride Openeye Name: potassium; decyl(trimethyl)ammonium; octanoate; chloride CAS Name: potassium; decyl(trimethyl)ammonium; octanoate; chloride IUPAC Name: potassium; decyl(trimethyl)azanium; octanoate; chloride Traditional Name: potassium; caprylate; decyl(trimethyl)ammonium; chloride Formula: C21H45ClKNO2 MolecularWeight: 418.1388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)C.CCCCCCCC(=O)[O-].[Cl-].[K+]

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)C.CCCCCCCC(=O)[O-].[Cl-].[K+]

InChI

InChI=1S/C13H30N.C8H16O2.ClH.K/c1-5-6-7-8-9-10-11-12-13-14(2,3)4;1-2-3-4-5-6-7-8(9)10;;/h5-13H2,1-4H3;2-7H2,1H3,(H,9,10);1H;/q+1;;;+1/p-2