methyl-dioctadecyl-octyl-azanium

Systemtic Name: methyl-dioctadecyl-octyl-azanium Openeye Name: methyl-dioctadecyl-octyl-ammonium CAS Name: methyl-dioctadecyl-octylammonium IUPAC Name: methyl-dioctadecyl-octylazanium Traditional Name: methyl-octyl-distearyl-ammonium Formula: C45H94N+ MolecularWeight: 649.23456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H94N/c1-5-8-11-14-17-19-21-23-25-27-29-31-33-35-38-41-44-46(4,43-40-37-16-13-10-7-3)45-42-39-36-34-32-30-28-26-24-22-20-18-15-12-9-6-2/h5-45H2,1-4H3/q+1