(2-hexadecyl-2-oxidanyl-1-phosphono-octadecyl)-trimethyl-azanium

Systemtic Name: (2-hexadecyl-2-oxidanyl-1-phosphono-octadecyl)-trimethyl-azanium Openeye Name: (2-hexadecyl-2-hydroxy-1-phosphono-octadecyl)-trimethyl-ammonium CAS Name: (2-hexadecyl-2-hydroxy-1-phosphonooctadecyl)-trimethylammonium IUPAC Name: (2-hexadecyl-2-hydroxy-1-phosphonooctadecyl)-trimethylazanium Traditional Name: (2-cetyl-2-hydroxy-1-phosphono-octadecyl)-trimethyl-ammonium Formula: C37H79NO4P+ MolecularWeight: 633.001221

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H78NO4P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-37(39,36(38(3,4)5)43(40,41)42)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36,39H,6-35H2,1-5H3,(H-,40,41,42)/p+1