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

Systemtic Name: dimethyl-[(9E,28E)-19-methyl-18,20-bis(oxidanylidene)heptatriaconta-9,28-dien-19-yl]azanium Openeye Name: dimethyl-[(E)-1-methyl-1-[(E)-octadec-9-enoyl]-2-oxo-nonadec-10-enyl]ammonium CAS Name: dimethyl-[(9E,28E)-19-methyl-18,20-dioxoheptatriaconta-9,28-dien-19-yl]ammonium IUPAC Name: dimethyl-[(9E,28E)-19-methyl-18,20-dioxoheptatriaconta-9,28-dien-19-yl]azanium Traditional Name: [(E)-2-keto-1-methyl-1-[(E)-octadec-9-enoyl]nonadec-10-enyl]-dimethyl-ammonium Formula: C40H76NO2+ MolecularWeight: 603.03694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C)(C(=O)CCCCCCCC=CCCCCCCCC)[NH+](C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C([NH+](C)C)(C(=O)CCCCCCC/C=C/CCCCCCCC)C

InChI

InChI=1S/C40H75NO2/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38(42)40(3,41(4)5)39(43)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23H,6-19,24-37H2,1-5H3/p+1/b22-20+,23-21+