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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-3-(phenylmethyl)benzimidazol-3-ium bromide Openeye Name: 1-benzyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium bromide CAS Name: 1-[(4-nitrophenyl)methyl]-3-(phenylmethyl)benzimidazol-3-ium bromide IUPAC Name: 1-benzyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium bromide Traditional Name: 1-benzyl-3-(4-nitrobenzyl)benzimidazol-1-ium bromide Formula: C21H18BrN3O2 MolecularWeight: 424.29052

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C21H18N3O2.BrH/c25-24(26)19-12-10-18(11-13-19)15-23-16-22(14-17-6-2-1-3-7-17)20-8-4-5-9-21(20)23;/h1-13,16H,14-15H2;1H/q+1;/p-1