4-(3-bromanylbenzo[b][1]benzoxepin-5-yl)-1-methyl-pyridin-1-ium iodide

Systemtic Name: 4-(3-bromanylbenzo[b][1]benzoxepin-5-yl)-1-methyl-pyridin-1-ium iodide Openeye Name: 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methyl-pyridin-1-ium iodide CAS Name: 4-(3-bromo-5-benzo[b][1]benzoxepinyl)-1-methylpyridin-1-ium iodide IUPAC Name: 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methylpyridin-1-ium iodide Traditional Name: 4-(3-bromobenzo[b][1]benzoxepin-5-yl)-1-methyl-pyridin-1-ium iodide Formula: C20H15BrINO MolecularWeight: 492.14767

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC3=CC=CC=C3OC4=C2C=C(C=C4)Br.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC3=CC=CC=C3OC4=C2C=C(C=C4)Br.[I-]

InChI

InChI=1S/C20H15BrNO.HI/c1-22-10-8-14(9-11-22)17-12-15-4-2-3-5-19(15)23-20-7-6-16(21)13-18(17)20;/h2-13H,1H3;1H/q+1;/p-1