(2-azanylcyclodecyl)methyl-bis(3-dodecoxypropyl)-phenyl-azanium

Systemtic Name: (2-azanylcyclodecyl)methyl-bis(3-dodecoxypropyl)-phenyl-azanium Openeye Name: (2-aminocyclodecyl)methyl-bis(3-dodecoxypropyl)-phenyl-ammonium CAS Name: (2-aminocyclodecyl)methyl-bis(3-dodecoxypropyl)-phenylammonium IUPAC Name: (2-aminocyclodecyl)methyl-bis(3-dodecoxypropyl)-phenylazanium Traditional Name: (2-aminocyclodecyl)methyl-bis(3-lauryloxypropyl)-phenyl-ammonium Formula: C47H89N2O2+ MolecularWeight: 714.22176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCC[N+](CCCOCCCCCCCCCCCC)(CC1CCCCCCCCC1N)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOCCC[N+](CCCOCCCCCCCCCCCC)(CC1CCCCCCCCC1N)C2=CC=CC=C2

InChI

InChI=1S/C47H89N2O2/c1-3-5-7-9-11-13-15-19-23-30-40-50-42-32-38-49(46-35-27-25-28-36-46,44-45-34-26-21-17-18-22-29-37-47(45)48)39-33-43-51-41-31-24-20-16-14-12-10-8-6-4-2/h25,27-28,35-36,45,47H,3-24,26,29-34,37-44,48H2,1-2H3/q+1