1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide

Systemtic Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide Openeye Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide CAS Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide IUPAC Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide Traditional Name: 1-heptyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide Formula: C20H31BrN2O MolecularWeight: 395.37694

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)OC.[Br-]

Isomeric SMILES

CCCCCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)OC.[Br-]

InChI

InChI=1S/C20H31N2O.BrH/c1-3-4-5-6-7-14-21-16-17-22(18-21)15-8-9-19-10-12-20(23-2)13-11-19;/h10-13,16-18H,3-9,14-15H2,1-2H3;1H/q+1;/p-1