methyl(dioctadecyl)azanium; octanoate

Systemtic Name: methyl(dioctadecyl)azanium; octanoate Openeye Name: methyl(dioctadecyl)ammonium; octanoate CAS Name: methyl(dioctadecyl)ammonium; octanoate IUPAC Name: methyl(dioctadecyl)azanium; octanoate Traditional Name: caprylate; methyl(distearyl)ammonium Formula: C45H93NO2 MolecularWeight: 680.22542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCC.CCCCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[NH+](C)CCCCCCCCCCCCCCCCCC.CCCCCCCC(=O)[O-]

InChI

InChI=1S/C37H77N.C8H16O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(3)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-2-3-4-5-6-7-8(9)10/h4-37H2,1-3H3;2-7H2,1H3,(H,9,10)