[(E)-3-carboxy-1,1-bis(oxidanyl)henicos-12-en-3-yl]-trimethyl-azanium

Systemtic Name: [(E)-3-carboxy-1,1-bis(oxidanyl)henicos-12-en-3-yl]-trimethyl-azanium Openeye Name: [(E)-1-carboxy-1-(2,2-dihydroxyethyl)nonadec-10-enyl]-trimethyl-ammonium CAS Name: [(E)-3-carboxy-1,1-dihydroxyheneicos-12-en-3-yl]-trimethylammonium IUPAC Name: [(E)-3-carboxy-1,1-dihydroxyhenicos-12-en-3-yl]-trimethylazanium Traditional Name: [(E)-1-carboxy-1-(2,2-dihydroxyethyl)nonadec-10-enyl]-trimethyl-ammonium Formula: C25H50NO4+ MolecularWeight: 428.6688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CC(O)O)(C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(CC(O)O)(C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C25H49NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(24(29)30,22-23(27)28)26(2,3)4/h12-13,23,27-28H,5-11,14-22H2,1-4H3/p+1/b13-12+