[(9E,28E)-19-ethyl-18,20-bis(oxidanylidene)heptatriaconta-9,28-dien-19-yl]-trimethyl-azanium

Systemtic Name: [(9E,28E)-19-ethyl-18,20-bis(oxidanylidene)heptatriaconta-9,28-dien-19-yl]-trimethyl-azanium Openeye Name: [(E)-1-ethyl-1-[(E)-octadec-9-enoyl]-2-oxo-nonadec-10-enyl]-trimethyl-ammonium CAS Name: [(9E,28E)-19-ethyl-18,20-dioxoheptatriaconta-9,28-dien-19-yl]-trimethylammonium IUPAC Name: [(9E,28E)-19-ethyl-18,20-dioxoheptatriaconta-9,28-dien-19-yl]-trimethylazanium Traditional Name: [(E)-1-ethyl-2-keto-1-[(E)-octadec-9-enoyl]nonadec-10-enyl]-trimethyl-ammonium Formula: C42H80NO2+ MolecularWeight: 631.0901

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C42H80NO2/c1-7-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40(44)42(9-3,43(4,5)6)41(45)39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-8-2/h22-25H,7-21,26-39H2,1-6H3/q+1/b24-22+,25-23+