5-chloranyl-2-methyl-1-(1-methylpyridin-1-ium-4-yl)-3-phenyl-indole iodide

Systemtic Name: 5-chloranyl-2-methyl-1-(1-methylpyridin-1-ium-4-yl)-3-phenyl-indole iodide Openeye Name: 5-chloro-2-methyl-1-(1-methylpyridin-1-ium-4-yl)-3-phenyl-indole iodide CAS Name: 5-chloro-2-methyl-1-(1-methyl-4-pyridin-1-iumyl)-3-phenylindole iodide IUPAC Name: 5-chloro-2-methyl-1-(1-methylpyridin-1-ium-4-yl)-3-phenylindole iodide Traditional Name: 5-chloro-2-methyl-1-(1-methylpyridin-1-ium-4-yl)-3-phenyl-indole iodide Formula: C21H18ClIN2 MolecularWeight: 460.73849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=[N+](C=C3)C)C=CC(=C2)Cl)C4=CC=CC=C4.[I-]

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=[N+](C=C3)C)C=CC(=C2)Cl)C4=CC=CC=C4.[I-]

InChI

InChI=1S/C21H18ClN2.HI/c1-15-21(16-6-4-3-5-7-16)19-14-17(22)8-9-20(19)24(15)18-10-12-23(2)13-11-18;/h3-14H,1-2H3;1H/q+1;/p-1