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

Systemtic Name: [(9E,28E)-18,20-bis(oxidanylidene)-19-phenyl-heptatriaconta-9,28-dien-19-yl]-trimethyl-azanium chloride Openeye Name: trimethyl-[(E)-1-[(E)-octadec-9-enoyl]-2-oxo-1-phenyl-nonadec-10-enyl]ammonium chloride CAS Name: [(9E,28E)-18,20-dioxo-19-phenylheptatriaconta-9,28-dien-19-yl]-trimethylammonium chloride IUPAC Name: [(9E,28E)-18,20-dioxo-19-phenylheptatriaconta-9,28-dien-19-yl]-trimethylazanium chloride Traditional Name: [(E)-2-keto-1-[(E)-octadec-9-enoyl]-1-phenyl-nonadec-10-enyl]-trimethyl-ammonium chloride Formula: C46H80ClNO2 MolecularWeight: 714.5859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C1=CC=CC=C1)(C(=O)CCCCCCCC=CCCCCCCCC)[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C([N+](C)(C)C)(C(=O)CCCCCCC/C=C/CCCCCCCC)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C46H80NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-41-44(48)46(47(3,4)5,43-39-35-34-36-40-43)45(49)42-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h20-23,34-36,39-40H,6-19,24-33,37-38,41-42H2,1-5H3;1H/q+1;/p-1/b22-20+,23-21+;