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

Systemtic Name: 1-butyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide Openeye Name: 1-butyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide CAS Name: 1-butyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide IUPAC Name: 1-butyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide Traditional Name: 1-butyl-3-[3-(4-methoxyphenyl)propyl]imidazol-3-ium bromide Formula: C17H25BrN2O MolecularWeight: 353.2972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)OC.[Br-]

Isomeric SMILES

CCCCN1C=C[N+](=C1)CCCC2=CC=C(C=C2)OC.[Br-]

InChI

InChI=1S/C17H25N2O.BrH/c1-3-4-11-18-13-14-19(15-18)12-5-6-16-7-9-17(20-2)10-8-16;/h7-10,13-15H,3-6,11-12H2,1-2H3;1H/q+1;/p-1