trimethyl-[(2R)-2-[(E)-octadec-9-enoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium

Systemtic Name: trimethyl-[(2R)-2-[(E)-octadec-9-enoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]azanium Openeye Name: [(2R)-4-hydroxy-2-[(E)-octadec-9-enoyl]oxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [(2R)-4-hydroxy-4-oxo-2-[(E)-1-oxooctadec-9-enoxy]butyl]-trimethylammonium IUPAC Name: [(2R)-4-hydroxy-2-[(E)-octadec-9-enoyl]oxy-4-oxobutyl]-trimethylazanium Traditional Name: [(2R)-4-hydroxy-4-keto-2-[(E)-octadec-9-enoyl]oxy-butyl]-trimethyl-ammonium Formula: C25H48NO4+ MolecularWeight: 426.65292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/p+1/b13-12+/t23-/m1/s1