carboxymethyl(trimethyl)azanium; (6E,9E,12E)-octadeca-6,9,12-trienoic acid

Systemtic Name: carboxymethyl(trimethyl)azanium; (6E,9E,12E)-octadeca-6,9,12-trienoic acid Openeye Name: carboxymethyl(trimethyl)ammonium; (6E,9E,12E)-octadeca-6,9,12-trienoic acid CAS Name: carboxymethyl(trimethyl)ammonium; (6E,9E,12E)-octadeca-6,9,12-trienoic acid IUPAC Name: carboxymethyl(trimethyl)azanium; (6E,9E,12E)-octadeca-6,9,12-trienoic acid Traditional Name: carboxymethyl(trimethyl)ammonium; (6E,9E,12E)-octadeca-6,9,12-trienoic acid Formula: C23H42NO4+ MolecularWeight: 396.58388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CCC=CCCCCC(=O)O.C[N+](C)(C)CC(=O)O

Isomeric SMILES

CCCCC/C=C/C/C=C/C/C=C/CCCCC(=O)O.C[N+](C)(C)CC(=O)O

InChI

InChI=1S/C18H30O2.C5H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-6(2,3)4-5(7)8/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20);4H2,1-3H3/p+1/b7-6+,10-9+,13-12+;