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

Systemtic Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium Openeye Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium CAS Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium IUPAC Name: 1-methyl-3-[(4-nitrophenyl)methyl]imidazol-1-ium Traditional Name: 1-methyl-3-(4-nitrobenzyl)imidazol-1-ium Formula: C11H12N3O2+ MolecularWeight: 218.23188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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