3-[6-(5,5-dimethyl-6-oxidanyl-hexoxy)-2,2-dimethyl-hexanoyl]oxy-4-(trimethylazaniumyl)butanoate

Systemtic Name: 3-[6-(5,5-dimethyl-6-oxidanyl-hexoxy)-2,2-dimethyl-hexanoyl]oxy-4-(trimethylazaniumyl)butanoate Openeye Name: 3-[6-(6-hydroxy-5,5-dimethyl-hexoxy)-2,2-dimethyl-hexanoyl]oxy-4-(trimethylammonio)butanoate CAS Name: 3-[6-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethyl-1-oxohexoxy]-4-(trimethylammonio)butanoate IUPAC Name: 3-[6-(6-hydroxy-5,5-dimethylhexoxy)-2,2-dimethylhexanoyl]oxy-4-(trimethylazaniumyl)butanoate Traditional Name: 3-[6-(6-hydroxy-5,5-dimethyl-hexoxy)-2,2-dimethyl-hexanoyl]oxy-4-(trimethylammonio)butyrate Formula: C23H45NO6 MolecularWeight: 431.6065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO6/c1-22(2,18-25)12-8-10-14-29-15-11-9-13-23(3,4)21(28)30-19(16-20(26)27)17-24(5,6)7/h19,25H,8-18H2,1-7H3