bis(trifluoromethylsulfonyl)azanide; 1-[(4-bromophenyl)methyl]-3-methyl-imidazol-3-ium

Systemtic Name: bis(trifluoromethylsulfonyl)azanide; 1-[(4-bromophenyl)methyl]-3-methyl-imidazol-3-ium Openeye Name: bis(trifluoromethylsulfonyl)azanide; 1-[(4-bromophenyl)methyl]-3-methyl-imidazol-3-ium CAS Name: bis(trifluoromethylsulfonyl)azanide; 1-[(4-bromophenyl)methyl]-3-methylimidazol-3-ium IUPAC Name: bis(trifluoromethylsulfonyl)azanide; 1-[(4-bromophenyl)methyl]-3-methylimidazol-3-ium Traditional Name: 1-(4-bromobenzyl)-3-methyl-imidazol-3-ium; ditriflylazanide Formula: C13H12BrF6N3O4S2 MolecularWeight: 532.276499

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12BrN2.C2F6NO4S2/c1-13-6-7-14(9-13)8-10-2-4-11(12)5-3-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h2-7,9H,8H2,1H3;/q+1;-1