1-methyl-2,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridin-1-ium iodide

Systemtic Name: 1-methyl-2,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridin-1-ium iodide Openeye Name: 1-methyl-2,6-bis[(E)-2-(1-methylpyrrol-2-yl)vinyl]pyridin-1-ium iodide CAS Name: 1-methyl-2,6-bis[(E)-2-(1-methyl-2-pyrrolyl)ethenyl]pyridin-1-ium iodide IUPAC Name: 1-methyl-2,6-bis[(E)-2-(1-methylpyrrol-2-yl)ethenyl]pyridin-1-ium iodide Traditional Name: 1-methyl-2,6-bis[(E)-2-(1-methylpyrrol-2-yl)vinyl]pyridin-1-ium iodide Formula: C20H22IN3 MolecularWeight: 431.31325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C=CC2=[N+](C(=CC=C2)C=CC3=CC=CN3C)C.[I-]

Isomeric SMILES

CN1C=CC=C1/C=C/C2=[N+](C(=CC=C2)/C=C/C3=CC=CN3C)C.[I-]

InChI

InChI=1S/C20H22N3.HI/c1-21-15-5-9-17(21)11-13-19-7-4-8-20(23(19)3)14-12-18-10-6-16-22(18)2;/h4-16H,1-3H3;1H/q+1;/p-1