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

Systemtic Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-3-methyl-1H-indole iodide Openeye Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]-3-methyl-1H-indole iodide CAS Name: 5-[(E)-2-(1-butyl-4-pyridin-1-iumyl)ethenyl]-3-methyl-1H-indole iodide IUPAC Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)ethenyl]-3-methyl-1H-indole iodide Traditional Name: 5-[(E)-2-(1-butylpyridin-1-ium-4-yl)vinyl]-3-methyl-1H-indole iodide Formula: C20H23IN2 MolecularWeight: 418.31449

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C=CC2=CC3=C(C=C2)NC=C3C.[I-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)/C=C/C2=CC3=C(C=C2)NC=C3C.[I-]

InChI

InChI=1S/C20H22N2.HI/c1-3-4-11-22-12-9-17(10-13-22)5-6-18-7-8-20-19(14-18)16(2)15-21-20;/h5-10,12-15H,3-4,11H2,1-2H3;1H