2-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-1-methyl-pyridin-1-ium iodide

Systemtic Name: 2-[(E)-2-(2-chloranyl-5-nitro-phenyl)ethenyl]-1-methyl-pyridin-1-ium iodide Openeye Name: 2-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-1-methyl-pyridin-1-ium iodide CAS Name: 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1-methylpyridin-1-ium iodide IUPAC Name: 2-[(E)-2-(2-chloro-5-nitrophenyl)ethenyl]-1-methylpyridin-1-ium iodide Traditional Name: 2-[(E)-2-(2-chloro-5-nitro-phenyl)vinyl]-1-methyl-pyridin-1-ium iodide Formula: C14H12ClIN2O2 MolecularWeight: 402.61475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1C=CC2=C(C=CC(=C2)[N+](=O)[O-])Cl.[I-]

Isomeric SMILES

C[N+]1=CC=CC=C1/C=C/C2=C(C=CC(=C2)[N+](=O)[O-])Cl.[I-]

InChI

InChI=1S/C14H12ClN2O2.HI/c1-16-9-3-2-4-12(16)6-5-11-10-13(17(18)19)7-8-14(11)15;/h2-10H,1H3;1H/q+1;/p-1/b6-5+;