[2-(azonan-2-yl)-2-oxidanylidene-ethyl]-didecyl-(3-hexadecoxypropyl)azanium

Systemtic Name: [2-(azonan-2-yl)-2-oxidanylidene-ethyl]-didecyl-(3-hexadecoxypropyl)azanium Openeye Name: [2-(azonan-2-yl)-2-oxo-ethyl]-didecyl-(3-hexadecoxypropyl)ammonium CAS Name: [2-(2-azonanyl)-2-oxoethyl]-didecyl-(3-hexadecoxypropyl)ammonium IUPAC Name: [2-(azonan-2-yl)-2-oxoethyl]-didecyl-(3-hexadecoxypropyl)azanium Traditional Name: [2-(azonan-2-yl)-2-keto-ethyl]-(3-cetyloxypropyl)-didecyl-ammonium Formula: C49H99N2O2+ MolecularWeight: 748.32256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CC(=O)C1CCCCCCCN1

Isomeric SMILES

CCCCCCCCCCCCCCCCOCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CC(=O)C1CCCCCCCN1

InChI

InChI=1S/C49H99N2O2/c1-4-7-10-13-16-19-20-21-22-23-24-27-33-38-45-53-46-39-44-51(42-36-31-25-17-14-11-8-5-2,43-37-32-26-18-15-12-9-6-3)47-49(52)48-40-34-29-28-30-35-41-50-48/h48,50H,4-47H2,1-3H3/q+1