7-chloranyl-3-(4-chlorophenyl)sulfonyl-1-[(1-ethylpyridin-1-ium-3-yl)methyl]quinazoline-2,4-dione iodide

Systemtic Name: 7-chloranyl-3-(4-chlorophenyl)sulfonyl-1-[(1-ethylpyridin-1-ium-3-yl)methyl]quinazoline-2,4-dione iodide Openeye Name: 7-chloro-3-(4-chlorophenyl)sulfonyl-1-[(1-ethylpyridin-1-ium-3-yl)methyl]quinazoline-2,4-dione iodide CAS Name: 7-chloro-3-(4-chlorophenyl)sulfonyl-1-[(1-ethyl-3-pyridin-1-iumyl)methyl]quinazoline-2,4-dione iodide IUPAC Name: 7-chloro-3-(4-chlorophenyl)sulfonyl-1-[(1-ethylpyridin-1-ium-3-yl)methyl]quinazoline-2,4-dione iodide Traditional Name: 7-chloro-3-(4-chlorophenyl)sulfonyl-1-[(1-ethylpyridin-1-ium-3-yl)methyl]quinazoline-2,4-quinone iodide Formula: C22H18Cl2IN3O4S MolecularWeight: 618.27149

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)CN2C3=C(C=CC(=C3)Cl)C(=O)N(C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl.[I-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)CN2C3=C(C=CC(=C3)Cl)C(=O)N(C2=O)S(=O)(=O)C4=CC=C(C=C4)Cl.[I-]

InChI

InChI=1S/C22H18Cl2N3O4S.HI/c1-2-25-11-3-4-15(13-25)14-26-20-12-17(24)7-10-19(20)21(28)27(22(26)29)32(30,31)18-8-5-16(23)6-9-18;/h3-13H,2,14H2,1H3;1H/q+1;/p-1