(3R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[(9Z,12Z)-1-oxooctadeca-9,12-dienoxy]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-4-(trimethylammonio)butyrate Formula: C25H45NO4 MolecularWeight: 423.6291

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H45NO4/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/h9-10,12-13,23H,5-8,11,14-22H2,1-4H3/b10-9-,13-12-/t23-/m1/s1