2-(3-chloranyl-4-methoxy-phenyl)-3-methoxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromen-4-one iodide

Systemtic Name: 2-(3-chloranyl-4-methoxy-phenyl)-3-methoxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromen-4-one iodide Openeye Name: 2-(3-chloro-4-methoxy-phenyl)-3-methoxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromen-4-one iodide CAS Name: 2-(3-chloro-4-methoxyphenyl)-3-methoxy-6-methyl-8-(1-methyl-4-pyridin-1-iumyl)-1-benzopyran-4-one iodide IUPAC Name: 2-(3-chloro-4-methoxyphenyl)-3-methoxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromen-4-one iodide Traditional Name: 2-(3-chloro-4-methoxy-phenyl)-3-methoxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromone iodide Formula: C24H21ClINO4 MolecularWeight: 549.78531

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)Cl)OC)C4=CC=[N+](C=C4)C.[I-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)OC)Cl)OC)C4=CC=[N+](C=C4)C.[I-]

InChI

InChI=1S/C24H21ClNO4.HI/c1-14-11-17(15-7-9-26(2)10-8-15)23-18(12-14)21(27)24(29-4)22(30-23)16-5-6-20(28-3)19(25)13-16;/h5-13H,1-4H3;1H/q+1;/p-1