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

Systemtic Name: 1-[(4-nitrophenyl)methyl]-3-(phenylmethyl)benzimidazol-3-ium Openeye Name: 1-benzyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-3-(phenylmethyl)benzimidazol-3-ium IUPAC Name: 1-benzyl-3-[(4-nitrophenyl)methyl]benzimidazol-1-ium Traditional Name: 1-benzyl-3-(4-nitrobenzyl)benzimidazol-1-ium Formula: C21H18N3O2+ MolecularWeight: 344.38652

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C21H18N3O2/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/q+1