4-[carboxy(dimethyl)azaniumyl]-3-hexadecanoyloxy-butanoate

Systemtic Name: 4-[carboxy(dimethyl)azaniumyl]-3-hexadecanoyloxy-butanoate Openeye Name: 4-[carboxy(dimethyl)ammonio]-3-hexadecanoyloxy-butanoate CAS Name: 4-[carboxy(dimethyl)ammonio]-3-(1-oxohexadecoxy)butanoate IUPAC Name: 4-[carboxy(dimethyl)azaniumyl]-3-hexadecanoyloxybutanoate Traditional Name: 4-[carboxy(dimethyl)ammonio]-3-hexadecanoyloxy-butyrate Formula: C23H43NO6 MolecularWeight: 429.59062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C(=O)O

InChI

InChI=1S/C23H43NO6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)30-20(18-21(25)26)19-24(2,3)23(28)29/h20H,4-19H2,1-3H3,(H-,25,26,28,29)