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trimethyl-(6-oxidanyl-6-phosphono-docosan-5-yl)azanium

trimethyl-(6-oxidanyl-6-phosphono-docosan-5-yl)azanium

Systemtic Name:trimethyl-(6-oxidanyl-6-phosphono-docosan-5-yl)azanium
Openeye Name:(1-butyl-2-hydroxy-2-phosphono-octadecyl)-trimethyl-ammonium
CAS Name:(6-hydroxy-6-phosphonodocosan-5-yl)-trimethylammonium
IUPAC Name:(6-hydroxy-6-phosphonodocosan-5-yl)-trimethylazanium
Traditional Name:(1-butyl-2-hydroxy-2-phosphono-octadecyl)-trimethyl-ammonium
Formula: C25H55NO4P+
MolecularWeight: 464.682261
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C(CCCC)[N+](C)(C)C)(O)P(=O)(O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCC(C(CCCC)[N+](C)(C)C)(O)P(=O)(O)O


InChI

InChI=1S/C25H54NO4P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-25(27,31(28,29)30)24(22-9-7-2)26(3,4)5/h24,27H,6-23H2,1-5H3,(H-,28,29,30)/p+1


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