11-[(3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoyl]oxyundecan-1-olate

Systemtic Name: 11-[(3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoyl]oxyundecan-1-olate Openeye Name: 11-[(3R)-3-(3-methylbutanoyloxy)-4-(trimethylammonio)butanoyl]oxyundecan-1-olate CAS Name: 11-[(3R)-3-(3-methyl-1-oxobutoxy)-1-oxo-4-(trimethylammonio)butoxy]-1-undecanolate IUPAC Name: 11-[(3R)-3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoyl]oxyundecan-1-olate Traditional Name: 11-[(3R)-3-isovaleryloxy-4-(trimethylammonio)butanoyl]oxyundecan-1-olate Formula: C23H45NO5 MolecularWeight: 415.6071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC(CC(=O)OCCCCCCCCCCC[O-])C[N+](C)(C)C

Isomeric SMILES

CC(C)CC(=O)O[C@H](CC(=O)OCCCCCCCCCCC[O-])C[N+](C)(C)C

InChI

InChI=1S/C23H45NO5/c1-20(2)17-23(27)29-21(19-24(3,4)5)18-22(26)28-16-14-12-10-8-6-7-9-11-13-15-25/h20-21H,6-19H2,1-5H3/t21-/m1/s1