2-[(3-chloranyl-4-methoxy-phenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide

Systemtic Name: 2-[(3-chloranyl-4-methoxy-phenyl)amino]-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Openeye Name: 2-(3-chloro-4-methoxy-anilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide CAS Name: 2-(3-chloro-4-methoxyanilino)-3-(4-methyl-1-pyridin-1-iumyl)naphthalene-1,4-dione iodide IUPAC Name: 2-(3-chloro-4-methoxyanilino)-3-(4-methylpyridin-1-ium-1-yl)naphthalene-1,4-dione iodide Traditional Name: 2-(3-chloro-4-methoxy-anilino)-3-(4-methylpyridin-1-ium-1-yl)-1,4-naphthoquinone iodide Formula: C23H18ClIN2O3 MolecularWeight: 532.75809

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)OC)Cl.[I-]

Isomeric SMILES

CC1=CC=[N+](C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NC4=CC(=C(C=C4)OC)Cl.[I-]

InChI

InChI=1S/C23H17ClN2O3.HI/c1-14-9-11-26(12-10-14)21-20(25-15-7-8-19(29-2)18(24)13-15)22(27)16-5-3-4-6-17(16)23(21)28;/h3-13H,1-2H3;1H