1-heptyl-3-[4-(4-methoxyphenyl)butyl]-2,4,5-trimethyl-imidazol-1-ium bromide

Systemtic Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]-2,4,5-trimethyl-imidazol-1-ium bromide Openeye Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]-2,4,5-trimethyl-imidazol-1-ium bromide CAS Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]-2,4,5-trimethylimidazol-1-ium bromide IUPAC Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]-2,4,5-trimethylimidazol-1-ium bromide Traditional Name: 1-heptyl-3-[4-(4-methoxyphenyl)butyl]-2,4,5-trimethyl-imidazol-1-ium bromide Formula: C24H39BrN2O MolecularWeight: 451.48326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+]1=C(N(C(=C1C)C)CCCCC2=CC=C(C=C2)OC)C.[Br-]

Isomeric SMILES

CCCCCCC[N+]1=C(N(C(=C1C)C)CCCCC2=CC=C(C=C2)OC)C.[Br-]

InChI

InChI=1S/C24H39N2O.BrH/c1-6-7-8-9-11-18-25-20(2)21(3)26(22(25)4)19-12-10-13-23-14-16-24(27-5)17-15-23;/h14-17H,6-13,18-19H2,1-5H3;1H/q+1;/p-1