2-[2-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[2-(dodecanoylamino)propyl-dimethyl-azaniumyl]-2-methyl-propanoate Openeye Name: 2-[2-(dodecanoylamino)propyl-dimethyl-ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[2-(1-oxododecylamino)propyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[2-(dodecanoylamino)propyl-dimethylazaniumyl]-2-methylpropanoate Traditional Name: 2-[2-(lauroylamino)propyl-dimethyl-ammonio]-2-methyl-propionate Formula: C21H42N2O3 MolecularWeight: 370.56978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42N2O3/c1-7-8-9-10-11-12-13-14-15-16-19(24)22-18(2)17-23(5,6)21(3,4)20(25)26/h18H,7-17H2,1-6H3,(H-,22,24,25,26)