butanoate; heptatriacontan-19-ylazanium

Systemtic Name: butanoate; heptatriacontan-19-ylazanium Openeye Name: butanoate; 1-octadecylnonadecylammonium CAS Name: butanoate; heptatriacontan-19-ylammonium IUPAC Name: butanoate; heptatriacontan-19-ylazanium Traditional Name: butyrate; 1-stearylnonadecylammonium Formula: C41H85NO2 MolecularWeight: 624.1191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H77N.C4H8O2/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(5)6/h37H,3-36,38H2,1-2H3;2-3H2,1H3,(H,5,6)