dimethyl(octadecyl)azanium; 2-methylidenepentanoate

Systemtic Name: dimethyl(octadecyl)azanium; 2-methylidenepentanoate Openeye Name: dimethyl(octadecyl)ammonium; 2-methylenepentanoate CAS Name: dimethyl(octadecyl)ammonium; 2-methylenepentanoate IUPAC Name: dimethyl(octadecyl)azanium; 2-methylidenepentanoate Traditional Name: dimethyl(stearyl)ammonium; 2-propylacrylate Formula: C26H53NO2 MolecularWeight: 411.70452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H43N.C6H10O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-3-4-5(2)6(7)8/h4-20H2,1-3H3;2-4H2,1H3,(H,7,8)