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2-dodecanoyloxyhexadecyl-methyl-dioctyl-azanium

2-dodecanoyloxyhexadecyl-methyl-dioctyl-azanium

Systemtic Name:2-dodecanoyloxyhexadecyl-methyl-dioctyl-azanium
Openeye Name:2-dodecanoyloxyhexadecyl-methyl-dioctyl-ammonium
CAS Name:methyl-dioctyl-[2-(1-oxododecoxy)hexadecyl]ammonium
IUPAC Name:2-dodecanoyloxyhexadecyl-methyl-dioctylazanium
Traditional Name:2-lauroyloxyhexadecyl-methyl-dioctyl-ammonium
Formula: C45H92NO2+
MolecularWeight: 679.21748
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C[N+](C)(CCCCCCCC)CCCCCCCC)OC(=O)CCCCCCCCCCC


Isomeric SMILES

CCCCCCCCCCCCCCC(C[N+](C)(CCCCCCCC)CCCCCCCC)OC(=O)CCCCCCCCCCC


InChI

InChI=1S/C45H92NO2/c1-6-10-14-18-22-24-25-26-28-29-31-35-39-44(48-45(47)40-36-32-30-27-23-19-15-11-7-2)43-46(5,41-37-33-20-16-12-8-3)42-38-34-21-17-13-9-4/h44H,6-43H2,1-5H3/q+1


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