5-chloranyl-3-[(E)-2-(1,6-dimethylpyridin-1-ium-2-yl)ethenyl]-1-methyl-indole iodide

Systemtic Name: 5-chloranyl-3-[(E)-2-(1,6-dimethylpyridin-1-ium-2-yl)ethenyl]-1-methyl-indole iodide Openeye Name: 5-chloro-3-[(E)-2-(1,6-dimethylpyridin-1-ium-2-yl)vinyl]-1-methyl-indole iodide CAS Name: 5-chloro-3-[(E)-2-(1,6-dimethyl-2-pyridin-1-iumyl)ethenyl]-1-methylindole iodide IUPAC Name: 5-chloro-3-[(E)-2-(1,6-dimethylpyridin-1-ium-2-yl)ethenyl]-1-methylindole iodide Traditional Name: 5-chloro-3-[(E)-2-(1,6-dimethylpyridin-1-ium-2-yl)vinyl]-1-methyl-indole iodide Formula: C18H18ClIN2 MolecularWeight: 424.70639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=[N+]1C)C=CC2=CN(C3=C2C=C(C=C3)Cl)C.[I-]

Isomeric SMILES

CC1=CC=CC(=[N+]1C)/C=C/C2=CN(C3=C2C=C(C=C3)Cl)C.[I-]

InChI

InChI=1S/C18H18ClN2.HI/c1-13-5-4-6-16(21(13)3)9-7-14-12-20(2)18-10-8-15(19)11-17(14)18;/h4-12H,1-3H3;1H/q+1;/p-1