2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium bromide

Systemtic Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium bromide Openeye Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium bromide CAS Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium bromide IUPAC Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium bromide Traditional Name: 2-(2-octoxyphenyl)-1,4,5,6-tetrahydropyrimidin-3-ium bromide Formula: C18H29BrN2O MolecularWeight: 369.33966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC=C1C2=[NH+]CCCN2.[Br-]

Isomeric SMILES

CCCCCCCCOC1=CC=CC=C1C2=[NH+]CCCN2.[Br-]

InChI

InChI=1S/C18H28N2O.BrH/c1-2-3-4-5-6-9-15-21-17-12-8-7-11-16(17)18-19-13-10-14-20-18;/h7-8,11-12H,2-6,9-10,13-15H2,1H3,(H,19,20);1H