[2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]-docosyl-dimethyl-azanium

Systemtic Name: [2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]-docosyl-dimethyl-azanium Openeye Name: (2,6-dihydroxy-6-oxo-hexyl)-docosyl-dimethyl-ammonium CAS Name: (2,6-dihydroxy-6-oxohexyl)-docosyl-dimethylammonium IUPAC Name: (2,6-dihydroxy-6-oxohexyl)-docosyl-dimethylazanium Traditional Name: behenyl-(2,6-dihydroxy-6-keto-hexyl)-dimethyl-ammonium Formula: C30H62NO3+ MolecularWeight: 484.81818

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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/p+1