3-(13-iodanyltridecyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide

Systemtic Name: 3-(13-iodanyltridecyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide Openeye Name: 3-(13-iodotridecyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide CAS Name: 3-(13-iodotridecyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide IUPAC Name: 3-(13-iodotridecyl)-1-[(4-methoxyphenyl)methyl]pyridin-1-ium iodide Traditional Name: 3-(13-iodotridecyl)-1-p-anisyl-pyridin-1-ium iodide Formula: C26H39I2NO MolecularWeight: 635.4029

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCCCCCCCCCCCI.[I-]

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2=CC=CC(=C2)CCCCCCCCCCCCCI.[I-]

InChI

InChI=1S/C26H39INO.HI/c1-29-26-18-16-25(17-19-26)23-28-21-13-15-24(22-28)14-11-9-7-5-3-2-4-6-8-10-12-20-27;/h13,15-19,21-22H,2-12,14,20,23H2,1H3;1H/q+1;/p-1