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

Systemtic Name: 6-methyl-3-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one bromide Openeye Name: 3-[(E)-2-(3-allyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-6-methyl-chromen-4-one bromide CAS Name: 6-methyl-3-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-benzopyran-4-one bromide IUPAC Name: 6-methyl-3-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]chromen-4-one bromide Traditional Name: 3-[(E)-2-(3-allyl-1,3-benzothiazol-3-ium-2-yl)vinyl]-6-methyl-chromone bromide Formula: C22H18BrNO2S MolecularWeight: 440.35282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18NO2S.BrH/c1-3-12-23-18-6-4-5-7-20(18)26-21(23)11-9-16-14-25-19-10-8-15(2)13-17(19)22(16)24;/h3-11,13-14H,1,12H2,2H3;1H/q+1;/p-1/b11-9+;