[2-[(Z)-docos-13-enoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[(Z)-docos-13-enoyl]oxy-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[(Z)-docos-13-enoyl]oxy-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-oxo-2-[(Z)-1-oxodocos-13-enoxy]butyl]-trimethylammonium IUPAC Name: [2-[(Z)-docos-13-enoyl]oxy-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[(Z)-docos-13-enoyl]oxy-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C29H56NO4+ MolecularWeight: 482.75924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C

InChI

InChI=1S/C29H55NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29(33)34-27(25-28(31)32)26-30(2,3)4/h12-13,27H,5-11,14-26H2,1-4H3/p+1/b13-12-