methyl(tridecyl)azanium; octanoate

Systemtic Name: methyl(tridecyl)azanium; octanoate Openeye Name: methyl(tridecyl)ammonium; octanoate CAS Name: methyl(tridecyl)ammonium; octanoate IUPAC Name: methyl(tridecyl)azanium; octanoate Traditional Name: caprylate; methyl(tridecyl)ammonium Formula: C22H47NO2 MolecularWeight: 357.61408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[NH2+]C.CCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC[NH2+]C.CCCCCCCC(=O)[O-]

InChI

InChI=1S/C14H31N.C8H16O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-2;1-2-3-4-5-6-7-8(9)10/h15H,3-14H2,1-2H3;2-7H2,1H3,(H,9,10)