1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium bromide

Systemtic Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium bromide Openeye Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium bromide CAS Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium bromide IUPAC Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium bromide Traditional Name: 1-methyl-3-(4-nitrobenzyl)imidazol-1-ium bromide Formula: C11H12BrN3O2 MolecularWeight: 298.13588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N3O2.BrH/c1-12-6-7-13(9-12)8-10-2-4-11(5-3-10)14(15)16;/h2-7,9H,8H2,1H3;1H/q+1;/p-1