3-(9-iodanyloctadecanoyloxy)-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-(9-iodanyloctadecanoyloxy)-4-(trimethylazaniumyl)butanoate Openeye Name: 3-(9-iodooctadecanoyloxy)-4-(trimethylammonio)butanoate CAS Name: 3-(9-iodo-1-oxooctadecoxy)-4-(trimethylammonio)butanoate IUPAC Name: 3-(9-iodooctadecanoyloxy)-4-(trimethylazaniumyl)butanoate Traditional Name: 3-(9-iodooctadecanoyloxy)-4-(trimethylammonio)butyrate Formula: C25H48INO4 MolecularWeight: 553.55739

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)I

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)I

InChI

InChI=1S/C25H48INO4/c1-5-6-7-8-9-11-14-17-22(26)18-15-12-10-13-16-19-25(30)31-23(20-24(28)29)21-27(2,3)4/h22-23H,5-21H2,1-4H3