[7-fluoranyl-4-iodanyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-(4-methylphenyl)sulfonyl-azanide

Systemtic Name: [7-fluoranyl-4-iodanyl-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-(4-methylphenyl)sulfonyl-azanide Openeye Name: [7-fluoro-4-iodo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-(p-tolylsulfonyl)azanide CAS Name: [7-fluoro-4-iodo-3-(4-methoxyphenyl)-2-isoquinolin-2-iumyl]-(4-methylphenyl)sulfonylazanide IUPAC Name: [7-fluoro-4-iodo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-(4-methylphenyl)sulfonylazanide Traditional Name: [7-fluoro-4-iodo-3-(4-methoxyphenyl)isoquinolin-2-ium-2-yl]-tosyl-azanide Formula: C23H18FIN2O3S MolecularWeight: 548.368493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=C(C(=C3C=CC(=CC3=C2)F)I)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-][N+]2=C(C(=C3C=CC(=CC3=C2)F)I)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H18FIN2O3S/c1-15-3-10-20(11-4-15)31(28,29)26-27-14-17-13-18(24)7-12-21(17)22(25)23(27)16-5-8-19(30-2)9-6-16/h3-14H,1-2H3