2-[dimethyl-[1-(octadecanoylamino)butyl]azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[dimethyl-[1-(octadecanoylamino)butyl]azaniumyl]-2-methyl-propanoate Openeye Name: 2-[dimethyl-[1-(octadecanoylamino)butyl]ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[1-(1-oxooctadecylamino)butyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[dimethyl-[1-(octadecanoylamino)butyl]azaniumyl]-2-methylpropanoate Traditional Name: 2-[dimethyl(1-stearamidobutyl)ammonio]-2-methyl-propionate Formula: C28H56N2O3 MolecularWeight: 468.75584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)[N+](C)(C)C(C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC(CCC)[N+](C)(C)C(C)(C)C(=O)[O-]

InChI

InChI=1S/C28H56N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(31)29-25(23-8-2)30(5,6)28(3,4)27(32)33/h25H,7-24H2,1-6H3,(H-,29,31,32,33)