2-[4-dodecoxybutyl(dimethyl)azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[4-dodecoxybutyl(dimethyl)azaniumyl]-2-methyl-propanoate Openeye Name: 2-[4-dodecoxybutyl(dimethyl)ammonio]-2-methyl-propanoate CAS Name: 2-[4-dodecoxybutyl(dimethyl)ammonio]-2-methylpropanoate IUPAC Name: 2-[4-dodecoxybutyl(dimethyl)azaniumyl]-2-methylpropanoate Traditional Name: 2-[4-lauryloxybutyl(dimethyl)ammonio]-2-methyl-propionate Formula: C22H45NO3 MolecularWeight: 371.5976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCCC[N+](C)(C)C(C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOCCCC[N+](C)(C)C(C)(C)C(=O)[O-]

InChI

InChI=1S/C22H45NO3/c1-6-7-8-9-10-11-12-13-14-16-19-26-20-17-15-18-23(4,5)22(2,3)21(24)25/h6-20H2,1-5H3