6-methyl-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide

Systemtic Name: 6-methyl-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide Openeye Name: 6-methyl-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]chromen-4-one iodide CAS Name: 6-methyl-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-benzopyran-4-one iodide IUPAC Name: 6-methyl-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one iodide Traditional Name: 6-methyl-3-[(E)-2-(3-methyl-1,3-benzothiazol-3-ium-2-yl)vinyl]chromone iodide Formula: C20H16INO2S MolecularWeight: 461.31601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C=CC3=[N+](C4=CC=CC=C4S3)C.[I-]

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)/C=C/C3=[N+](C4=CC=CC=C4S3)C.[I-]

InChI

InChI=1S/C20H16NO2S.HI/c1-13-7-9-17-15(11-13)20(22)14(12-23-17)8-10-19-21(2)16-5-3-4-6-18(16)24-19;/h3-12H,1-2H3;1H/q+1;/p-1/b10-8+;