2-[4-(dodecanoylamino)butyl-dimethyl-azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[4-(dodecanoylamino)butyl-dimethyl-azaniumyl]-2-methyl-propanoate Openeye Name: 2-[4-(dodecanoylamino)butyl-dimethyl-ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[4-(1-oxododecylamino)butyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[4-(dodecanoylamino)butyl-dimethylazaniumyl]-2-methylpropanoate Traditional Name: 2-[4-(lauroylamino)butyl-dimethyl-ammonio]-2-methyl-propionate Formula: C22H44N2O3 MolecularWeight: 384.59636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCCC[N+](C)(C)C(C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCCC[N+](C)(C)C(C)(C)C(=O)[O-]

InChI

InChI=1S/C22H44N2O3/c1-6-7-8-9-10-11-12-13-14-17-20(25)23-18-15-16-19-24(4,5)22(2,3)21(26)27/h6-19H2,1-5H3,(H-,23,25,26,27)