(4,8-dimethylazulen-1-yl)-(1-methylpyridin-1-ium-4-yl)diazene iodide

Systemtic Name: (4,8-dimethylazulen-1-yl)-(1-methylpyridin-1-ium-4-yl)diazene iodide Openeye Name: (4,8-dimethylazulen-1-yl)-(1-methylpyridin-1-ium-4-yl)diazene iodide CAS Name: (4,8-dimethyl-1-azulenyl)-(1-methyl-4-pyridin-1-iumyl)diazene iodide IUPAC Name: (4,8-dimethylazulen-1-yl)-(1-methylpyridin-1-ium-4-yl)diazene iodide Traditional Name: (4,8-dimethylazulen-1-yl)-(1-methylpyridin-1-ium-4-yl)diazene iodide Formula: C18H18IN3 MolecularWeight: 403.26009

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=C2C(=CC=C1)C)N=NC3=CC=[N+](C=C3)C.[I-]

Isomeric SMILES

CC1=C2C=CC(=C2C(=CC=C1)C)N=NC3=CC=[N+](C=C3)C.[I-]

InChI

InChI=1S/C18H18N3.HI/c1-13-5-4-6-14(2)18-16(13)7-8-17(18)20-19-15-9-11-21(3)12-10-15;/h4-12H,1-3H3;1H/q+1;/p-1