carboxymethyl-dimethyl-[3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl]azanium

Systemtic Name: carboxymethyl-dimethyl-[3-[[(E)-12-oxidanyloctadec-9-enoyl]amino]propyl]azanium Openeye Name: carboxymethyl-[3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethyl-ammonium CAS Name: carboxymethyl-[3-[[(E)-12-hydroxy-1-oxooctadec-9-enyl]amino]propyl]-dimethylammonium IUPAC Name: carboxymethyl-[3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethylazanium Traditional Name: carboxymethyl-[3-[[(E)-12-hydroxyoctadec-9-enoyl]amino]propyl]-dimethyl-ammonium Formula: C25H49N2O4+ MolecularWeight: 441.66756

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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)/p+1/b14-11+