1,2-dimethyl-1-octadecyl-azetidin-1-ium bromide

Systemtic Name: 1,2-dimethyl-1-octadecyl-azetidin-1-ium bromide Openeye Name: 1,2-dimethyl-1-octadecyl-azetidin-1-ium bromide CAS Name: 1,2-dimethyl-1-octadecylazetidin-1-ium bromide IUPAC Name: 1,2-dimethyl-1-octadecylazetidin-1-ium bromide Traditional Name: 1,2-dimethyl-1-stearyl-azetidin-1-ium bromide Formula: C23H48BrN MolecularWeight: 418.53792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[N+]1(CCC1C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[N+]1(CCC1C)C.[Br-]

InChI

InChI=1S/C23H48N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(3)22-20-23(24)2;/h23H,4-22H2,1-3H3;1H/q+1;/p-1