3-hexadecyl-1,4-dihydropyrimidin-3-ium bromide

Systemtic Name: 3-hexadecyl-1,4-dihydropyrimidin-3-ium bromide Openeye Name: 3-hexadecyl-1,4-dihydropyrimidin-3-ium bromide CAS Name: 3-hexadecyl-1,4-dihydropyrimidin-3-ium bromide IUPAC Name: 3-hexadecyl-1,4-dihydropyrimidin-3-ium bromide Traditional Name: 3-cetyl-1,4-dihydropyrimidin-3-ium bromide Formula: C20H39BrN2 MolecularWeight: 387.44106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CNC=CC1.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CNC=CC1.[Br-]

InChI

InChI=1S/C20H38N2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-22-19-16-17-21-20-22;/h16-17,20H,2-15,18-19H2,1H3;1H