2-[dimethyl-[3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl]azaniumyl]ethanoate

Systemtic Name: 2-[dimethyl-[3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl]azaniumyl]ethanoate Openeye Name: 2-[3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl-dimethyl-ammonio]acetate CAS Name: 2-[3-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]propyl-dimethylammonio]acetate IUPAC Name: 2-[3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl-dimethylazaniumyl]acetate Traditional Name: 2-[3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl-dimethyl-ammonio]acetate Formula: C25H48N2O4 MolecularWeight: 440.65962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-])O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)[O-])O

InChI

InChI=1S/C25H48N2O4/c1-4-5-6-13-17-23(28)18-14-11-9-7-8-10-12-15-19-24(29)26-20-16-21-27(2,3)22-25(30)31/h11,14,23,28H,4-10,12-13,15-22H2,1-3H3,(H-,26,29,30,31)/b14-11+