4,5-bis[(E)-octadec-9-enoxy]pentan-2-yl-dimethyl-oxidanyl-azanium

Systemtic Name: 4,5-bis[(E)-octadec-9-enoxy]pentan-2-yl-dimethyl-oxidanyl-azanium Openeye Name: hydroxy-dimethyl-[1-methyl-3,4-bis[(E)-octadec-9-enoxy]butyl]ammonium CAS Name: 4,5-bis[(E)-octadec-9-enoxy]pentan-2-yl-hydroxy-dimethylammonium IUPAC Name: 4,5-bis[(E)-octadec-9-enoxy]pentan-2-yl-hydroxy-dimethylazanium Traditional Name: hydroxy-dimethyl-[1-methyl-3,4-bis[(E)-octadec-9-enoxy]butyl]ammonium Formula: C43H86NO3+ MolecularWeight: 665.14784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCOCC(CC(C)[N+](C)(C)O)OCCCCCCCCC=CCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C43H86NO3/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-46-41-43(40-42(3)44(4,5)45)47-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42-43,45H,6-19,24-41H2,1-5H3/q+1/b22-20+,23-21+