1-methyl-3-(phenylmethyl)imidazol-1-ium bromide

Systemtic Name: 1-methyl-3-(phenylmethyl)imidazol-1-ium bromide Openeye Name: 1-benzyl-3-methyl-imidazol-3-ium bromide CAS Name: 1-methyl-3-(phenylmethyl)imidazol-1-ium bromide IUPAC Name: 1-benzyl-3-methylimidazol-3-ium bromide Traditional Name: 1-benzyl-3-methyl-imidazol-3-ium bromide Formula: C11H13BrN2 MolecularWeight: 253.13832

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C11H13N2.BrH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1