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methyl-dioctadecyl-(2-oxidanylideneheptyl)azanium

methyl-dioctadecyl-(2-oxidanylideneheptyl)azanium

Systemtic Name:methyl-dioctadecyl-(2-oxidanylideneheptyl)azanium
Openeye Name:methyl-dioctadecyl-(2-oxoheptyl)ammonium
CAS Name:methyl-dioctadecyl-(2-oxoheptyl)ammonium
IUPAC Name:methyl-dioctadecyl-(2-oxoheptyl)azanium
Traditional Name:2-ketoheptyl-methyl-distearyl-ammonium
Formula: C44H90NO+
MolecularWeight: 649.1915
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(=O)CCCCC


Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCCCCCCCCCCC)CC(=O)CCCCC


InChI

InChI=1S/C44H90NO/c1-5-8-11-13-15-17-19-21-23-25-27-29-31-33-35-38-41-45(4,43-44(46)40-37-10-7-3)42-39-36-34-32-30-28-26-24-22-20-18-16-14-12-9-6-2/h5-43H2,1-4H3/q+1


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