heptatriacontan-19-ylazanium ethanoate

Systemtic Name: heptatriacontan-19-ylazanium ethanoate Openeye Name: 1-octadecylnonadecylammonium acetate CAS Name: heptatriacontan-19-ylammonium acetate IUPAC Name: heptatriacontan-19-ylazanium acetate Traditional Name: 1-stearylnonadecylammonium acetate Formula: C39H81NO2 MolecularWeight: 596.06594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCCC)[NH3+].CC(=O)[O-]

InChI

InChI=1S/C37H77N.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h37H,3-36,38H2,1-2H3;1H3,(H,3,4)