(2-hexadecanoyl-2-oxidanyl-3-oxidanylidene-octadecyl)-trimethyl-azanium

Systemtic Name: (2-hexadecanoyl-2-oxidanyl-3-oxidanylidene-octadecyl)-trimethyl-azanium Openeye Name: (2-hexadecanoyl-2-hydroxy-3-oxo-octadecyl)-trimethyl-ammonium CAS Name: [2-hydroxy-3-oxo-2-(1-oxohexadecyl)octadecyl]-trimethylammonium IUPAC Name: (2-hexadecanoyl-2-hydroxy-3-oxooctadecyl)-trimethylazanium Traditional Name: (2-hexadecanoyl-2-hydroxy-3-keto-octadecyl)-trimethyl-ammonium Formula: C37H74NO3+ MolecularWeight: 580.98836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(C[N+](C)(C)C)(C(=O)CCCCCCCCCCCCCCC)O

InChI

InChI=1S/C37H74NO3/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-35(39)37(41,34-38(3,4)5)36(40)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h41H,6-34H2,1-5H3/q+1