1-(4-bromophenyl)-3-(1-prop-2-enylpyridin-1-ium-3-yl)benzo[f]quinoline iodide

Systemtic Name: 1-(4-bromophenyl)-3-(1-prop-2-enylpyridin-1-ium-3-yl)benzo[f]quinoline iodide Openeye Name: 3-(1-allylpyridin-1-ium-3-yl)-1-(4-bromophenyl)benzo[f]quinoline iodide CAS Name: 1-(4-bromophenyl)-3-(1-prop-2-enyl-3-pyridin-1-iumyl)benzo[f]quinoline iodide IUPAC Name: 1-(4-bromophenyl)-3-(1-prop-2-enylpyridin-1-ium-3-yl)benzo[f]quinoline iodide Traditional Name: 3-(1-allylpyridin-1-ium-3-yl)-1-(4-bromophenyl)benzo[f]quinoline iodide Formula: C27H20BrIN2 MolecularWeight: 579.26957

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CC=CC(=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C5=CC=C(C=C5)Br.[I-]

Isomeric SMILES

C=CC[N+]1=CC=CC(=C1)C2=NC3=C(C4=CC=CC=C4C=C3)C(=C2)C5=CC=C(C=C5)Br.[I-]

InChI

InChI=1S/C27H20BrN2.HI/c1-2-15-30-16-5-7-21(18-30)26-17-24(20-9-12-22(28)13-10-20)27-23-8-4-3-6-19(23)11-14-25(27)29-26;/h2-14,16-18H,1,15H2;1H/q+1;/p-1