3-(2-methylhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(2-methylhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-methylhexadecanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-(2-methyl-1-oxohexadecoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-methylhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-methylhexadecanoyloxy)-4-(trimethylammonio)butyrate Formula: C24H47NO4 MolecularWeight: 413.63428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H47NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2)24(28)29-22(19-23(26)27)20-25(3,4)5/h21-22H,6-20H2,1-5H3