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dimethyl(octadecan-9-yl)azanium; octadecanoate

dimethyl(octadecan-9-yl)azanium; octadecanoate

Systemtic Name:dimethyl(octadecan-9-yl)azanium; octadecanoate
Openeye Name:dimethyl(1-octyldecyl)ammonium; octadecanoate
CAS Name:dimethyl(octadecan-9-yl)ammonium; octadecanoate
IUPAC Name:dimethyl(octadecan-9-yl)azanium; octadecanoate
Traditional Name:dimethyl(1-octyldecyl)ammonium; stearate
Formula: C38H79NO2
MolecularWeight: 582.03936
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H43N.C18H36O2/c1-5-7-9-11-13-15-17-19-20(21(3)4)18-16-14-12-10-8-6-2;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h20H,5-19H2,1-4H3;2-17H2,1H3,(H,19,20)


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