trimethyl-[2-[(E)-12-oxidanyloctadec-12-enoyl]oxyethyl]azanium

Systemtic Name: trimethyl-[2-[(E)-12-oxidanyloctadec-12-enoyl]oxyethyl]azanium Openeye Name: 2-[(E)-12-hydroxyoctadec-12-enoyl]oxyethyl-trimethyl-ammonium CAS Name: 2-[(E)-12-hydroxy-1-oxooctadec-12-enoxy]ethyl-trimethylammonium IUPAC Name: 2-[(E)-12-hydroxyoctadec-12-enoyl]oxyethyl-trimethylazanium Traditional Name: 2-[(E)-12-hydroxyoctadec-12-enoyl]oxyethyl-trimethyl-ammonium Formula: C23H46NO3+ MolecularWeight: 384.61624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=C(CCCCCCCCCCC(=O)OCC[N+](C)(C)C)O

Isomeric SMILES

CCCCC/C=C(\CCCCCCCCCCC(=O)OCC[N+](C)(C)C)/O

InChI

InChI=1S/C23H45NO3/c1-5-6-7-14-17-22(25)18-15-12-10-8-9-11-13-16-19-23(26)27-21-20-24(2,3)4/h17H,5-16,18-21H2,1-4H3/p+1/b22-17+