4-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1,5-dimethyl-2-phenyl-imidazo[4,5-c]pyridin-5-ium iodide

Systemtic Name: 4-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1,5-dimethyl-2-phenyl-imidazo[4,5-c]pyridin-5-ium iodide Openeye Name: 4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1,5-dimethyl-2-phenyl-imidazo[4,5-c]pyridin-5-ium iodide CAS Name: 4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,5-dimethyl-2-phenylimidazo[4,5-c]pyridin-5-ium iodide IUPAC Name: 4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,5-dimethyl-2-phenylimidazo[4,5-c]pyridin-5-ium iodide Traditional Name: 4-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1,5-dimethyl-2-phenyl-imidazo[4,5-c]pyridin-5-ium iodide Formula: C23H19BrIN3O2 MolecularWeight: 576.22433

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=[N+](C=C2)C)C=CC3=CC4=C(C=C3Br)OCO4)N=C1C5=CC=CC=C5.[I-]

Isomeric SMILES

CN1C2=C(C(=[N+](C=C2)C)/C=C/C3=CC4=C(C=C3Br)OCO4)N=C1C5=CC=CC=C5.[I-]

InChI

InChI=1S/C23H19BrN3O2.HI/c1-26-11-10-19-22(25-23(27(19)2)15-6-4-3-5-7-15)18(26)9-8-16-12-20-21(13-17(16)24)29-14-28-20;/h3-13H,14H2,1-2H3;1H/q+1;/p-1/b9-8+;