2-[1-azanylhexadecan-4-yl(dimethyl)azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[1-azanylhexadecan-4-yl(dimethyl)azaniumyl]-2-methyl-propanoate Openeye Name: 2-[1-(3-aminopropyl)tridecyl-dimethyl-ammonio]-2-methyl-propanoate CAS Name: 2-[1-aminohexadecan-4-yl(dimethyl)ammonio]-2-methylpropanoate IUPAC Name: 2-[1-aminohexadecan-4-yl(dimethyl)azaniumyl]-2-methylpropanoate Traditional Name: 2-[1-(3-aminopropyl)tridecyl-dimethyl-ammonio]-2-methyl-propionate Formula: C22H46N2O2 MolecularWeight: 370.61284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCN)[N+](C)(C)C(C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(CCCN)[N+](C)(C)C(C)(C)C(=O)[O-]

InChI

InChI=1S/C22H46N2O2/c1-6-7-8-9-10-11-12-13-14-15-17-20(18-16-19-23)24(4,5)22(2,3)21(25)26/h20H,6-19,23H2,1-5H3