3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpyridin-1-ium-4-yl)indole iodide

Systemtic Name: 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpyridin-1-ium-4-yl)indole iodide Openeye Name: 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpyridin-1-ium-4-yl)indole iodide CAS Name: 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methyl-4-pyridin-1-iumyl)indole iodide IUPAC Name: 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpyridin-1-ium-4-yl)indole iodide Traditional Name: 3-(4-fluorophenyl)-2,5-dimethyl-1-(1-methylpyridin-1-ium-4-yl)indole iodide Formula: C22H20FIN2 MolecularWeight: 458.310473

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)F)C)C4=CC=[N+](C=C4)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C3=CC=C(C=C3)F)C)C4=CC=[N+](C=C4)C.[I-]

InChI

InChI=1S/C22H20FN2.HI/c1-15-4-9-21-20(14-15)22(17-5-7-18(23)8-6-17)16(2)25(21)19-10-12-24(3)13-11-19;/h4-14H,1-3H3;1H/q+1;/p-1