methyl-bis[(E)-octadec-9-enyl]-octadecyl-azanium

Systemtic Name: methyl-bis[(E)-octadec-9-enyl]-octadecyl-azanium Openeye Name: methyl-bis[(E)-octadec-9-enyl]-octadecyl-ammonium CAS Name: methyl-bis[(E)-octadec-9-enyl]-octadecylammonium IUPAC Name: methyl-bis[(E)-octadec-9-enyl]-octadecylazanium Traditional Name: methyl-bis[(E)-octadec-9-enyl]-stearyl-ammonium Formula: C55H110N+ MolecularWeight: 785.4686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+](C)(CCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+](CCCCCCCC/C=C/CCCCCCCC)(CCCCCCCC/C=C/CCCCCCCC)C

InChI

InChI=1S/C55H110N/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-53-56(4,54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)55-52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3/h26-27,29-30H,5-25,28,31-55H2,1-4H3/q+1/b29-26+,30-27+