1-methyl-3-phenethyl-imidazol-1-ium bromide

Systemtic Name: 1-methyl-3-phenethyl-imidazol-1-ium bromide Openeye Name: 1-methyl-3-phenethyl-imidazol-1-ium bromide CAS Name: 1-methyl-3-phenethylimidazol-1-ium bromide IUPAC Name: 1-methyl-3-phenethylimidazol-1-ium bromide Traditional Name: 1-methyl-3-phenethyl-imidazol-1-ium bromide Formula: C12H15BrN2 MolecularWeight: 267.1649

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C12H15N2.BrH/c1-13-9-10-14(11-13)8-7-12-5-3-2-4-6-12;/h2-6,9-11H,7-8H2,1H3;1H/q+1;/p-1