N-[9,10-bis(oxidanylidene)anthracen-1-yl]-1-methyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-(9,10-dioxo-1-anthryl)-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-(9,10-dioxo-1-anthracenyl)-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(9,10-diketo-1-anthryl)-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C21H15IN2O3 MolecularWeight: 470.25987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NC2=CC=CC3=C2C(=O)C4=CC=CC=C4C3=O.[I-]

InChI

InChI=1S/C21H14N2O3.HI/c1-23-11-5-6-13(12-23)21(26)22-17-10-4-9-16-18(17)20(25)15-8-3-2-7-14(15)19(16)24;/h2-12H,1H3;1H