decyl-dimethyl-(7-methyloctyl)azanium; octanoate

Systemtic Name: decyl-dimethyl-(7-methyloctyl)azanium; octanoate Openeye Name: decyl-dimethyl-(7-methyloctyl)ammonium; octanoate CAS Name: decyl-dimethyl-(7-methyloctyl)ammonium; octanoate IUPAC Name: decyl-dimethyl-(7-methyloctyl)azanium; octanoate Traditional Name: caprylate; decyl-dimethyl-(7-methyloctyl)ammonium Formula: C29H61NO2 MolecularWeight: 455.80014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H46N.C8H16O2/c1-6-7-8-9-10-11-13-16-19-22(4,5)20-17-14-12-15-18-21(2)3;1-2-3-4-5-6-7-8(9)10/h21H,6-20H2,1-5H3;2-7H2,1H3,(H,9,10)/q+1;/p-1