methyl-tris[(E)-12-oxidanyloctadec-9-enyl]azanium

Systemtic Name: methyl-tris[(E)-12-oxidanyloctadec-9-enyl]azanium Openeye Name: tris[(E)-12-hydroxyoctadec-9-enyl]-methyl-ammonium CAS Name: tris[(E)-12-hydroxyoctadec-9-enyl]-methylammonium IUPAC Name: tris[(E)-12-hydroxyoctadec-9-enyl]-methylazanium Traditional Name: tris[(E)-12-hydroxyoctadec-9-enyl]-methyl-ammonium Formula: C55H108NO3+ MolecularWeight: 831.45092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCCC[N+](C)(CCCCCCCCC=CCC(CCCCCC)O)CCCCCCCCC=CCC(CCCCCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C55H108NO3/c1-5-8-11-35-44-53(57)47-38-29-23-17-14-20-26-32-41-50-56(4,51-42-33-27-21-15-18-24-30-39-48-54(58)45-36-12-9-6-2)52-43-34-28-22-16-19-25-31-40-49-55(59)46-37-13-10-7-3/h29-31,38-40,53-55,57-59H,5-28,32-37,41-52H2,1-4H3/q+1/b38-29+,39-30+,40-31+