2,3-dimethyl-1-(phenylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione iodide

Systemtic Name: 2,3-dimethyl-1-(phenylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione iodide Openeye Name: 1-benzyl-2,3-dimethyl-benzo[f]benzimidazol-3-ium-4,9-dione iodide CAS Name: 2,3-dimethyl-1-(phenylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione iodide IUPAC Name: 1-benzyl-2,3-dimethylbenzo[f]benzimidazol-3-ium-4,9-dione iodide Traditional Name: 1-benzyl-2,3-dimethyl-benzo[f]benzimidazol-3-ium-4,9-quinone iodide Formula: C20H17IN2O2 MolecularWeight: 444.26565

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C.[I-]

Isomeric SMILES

CC1=[N+](C2=C(N1CC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)C.[I-]

InChI

InChI=1S/C20H17N2O2.HI/c1-13-21(2)17-18(22(13)12-14-8-4-3-5-9-14)20(24)16-11-7-6-10-15(16)19(17)23;/h3-11H,12H2,1-2H3;1H/q+1;/p-1