5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole iodide

Systemtic Name: 5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole iodide Openeye Name: 5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-1H-indole iodide CAS Name: 5-methoxy-3-[(E)-2-(1-methyl-4-pyridin-1-iumyl)ethenyl]-1H-indole iodide IUPAC Name: 5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-1H-indole iodide Traditional Name: 5-methoxy-3-[(E)-2-(1-methylpyridin-1-ium-4-yl)vinyl]-1H-indole iodide Formula: C17H17IN2O MolecularWeight: 392.23415

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C=CC2=CNC3=C2C=C(C=C3)OC.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)/C=C/C2=CNC3=C2C=C(C=C3)OC.[I-]

InChI

InChI=1S/C17H16N2O.HI/c1-19-9-7-13(8-10-19)3-4-14-12-18-17-6-5-15(20-2)11-16(14)17;/h3-12H,1-2H3;1H