3-methyl-2-(2-phenylethenyl)-1-propan-2-yl-benzo[f]benzimidazol-3-ium-4,9-dione iodide

Systemtic Name: 3-methyl-2-(2-phenylethenyl)-1-propan-2-yl-benzo[f]benzimidazol-3-ium-4,9-dione iodide Openeye Name: 1-isopropyl-3-methyl-2-styryl-benzo[f]benzimidazol-3-ium-4,9-dione iodide CAS Name: 3-methyl-2-(2-phenylethenyl)-1-propan-2-ylbenzo[f]benzimidazol-3-ium-4,9-dione iodide IUPAC Name: 3-methyl-2-(2-phenylethenyl)-1-propan-2-ylbenzo[f]benzimidazol-3-ium-4,9-dione iodide Traditional Name: 1-isopropyl-3-methyl-2-styryl-benzo[f]benzimidazol-3-ium-4,9-quinone iodide Formula: C23H21IN2O2 MolecularWeight: 484.32951

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=[N+](C2=C1C(=O)C3=CC=CC=C3C2=O)C)C=CC4=CC=CC=C4.[I-]

Isomeric SMILES

CC(C)N1C(=[N+](C2=C1C(=O)C3=CC=CC=C3C2=O)C)C=CC4=CC=CC=C4.[I-]

InChI

InChI=1S/C23H21N2O2.HI/c1-15(2)25-19(14-13-16-9-5-4-6-10-16)24(3)20-21(25)23(27)18-12-8-7-11-17(18)22(20)26;/h4-15H,1-3H3;1H/q+1;/p-1