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dimethyl(dioctadecyl)azanium; methyl octadecanoate

dimethyl(dioctadecyl)azanium; methyl octadecanoate

Systemtic Name:dimethyl(dioctadecyl)azanium; methyl octadecanoate
Openeye Name:dimethyl(dioctadecyl)ammonium; methyl octadecanoate
CAS Name:dimethyl(dioctadecyl)ammonium; octadecanoic acid methyl ester
IUPAC Name:dimethyl(dioctadecyl)azanium; methyl octadecanoate
Traditional Name:dimethyl(distearyl)ammonium; stearic acid methyl ester
Formula: C57H118NO2+
MolecularWeight: 849.55232
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.CCCCCCCCCCCCCCCCCC(=O)OC


InChI

InChI=1S/C38H80N.C19H38O2/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(3,4)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h5-38H2,1-4H3;3-18H2,1-2H3/q+1;


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