6-[docosyl(dimethyl)azaniumyl]-5-oxidanyl-hexanoate

Systemtic Name: 6-[docosyl(dimethyl)azaniumyl]-5-oxidanyl-hexanoate Openeye Name: 6-[docosyl(dimethyl)ammonio]-5-hydroxy-hexanoate CAS Name: 6-[docosyl(dimethyl)ammonio]-5-hydroxyhexanoate IUPAC Name: 6-[docosyl(dimethyl)azaniumyl]-5-hydroxyhexanoate Traditional Name: 6-[behenyl(dimethyl)ammonio]-5-hydroxy-hexanoate Formula: C30H61NO3 MolecularWeight: 483.81024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CCCC(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(CCCC(=O)[O-])O

InChI

InChI=1S/C30H61NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-31(2,3)28-29(32)25-24-26-30(33)34/h29,32H,4-28H2,1-3H3