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

Systemtic Name: 3-(2-hexyldecanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(2-hexyldecanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-(2-hexyl-1-oxodecoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(2-hexyldecanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(2-hexyldecanoyloxy)-4-(trimethylammonio)butyrate Formula: C23H45NO4 MolecularWeight: 399.6077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO4/c1-6-8-10-12-13-15-17-20(16-14-11-9-7-2)23(27)28-21(18-22(25)26)19-24(3,4)5/h20-21H,6-19H2,1-5H3