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

Systemtic Name: 6-bromanyl-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-bromo-chromen-4-one bromide CAS Name: 6-bromo-3-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-benzopyran-4-one bromide IUPAC Name: 6-bromo-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-bromo-chromone bromide Formula: C21H15Br2NO2S MolecularWeight: 505.2223

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=CC=CC=C21)C=CC3=COC4=C(C3=O)C=C(C=C4)Br.[Br-]

Isomeric SMILES

C=CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=COC4=C(C3=O)C=C(C=C4)Br.[Br-]

InChI

InChI=1S/C21H15BrNO2S.BrH/c1-2-11-23-17-5-3-4-6-19(17)26-20(23)10-7-14-13-25-18-9-8-15(22)12-16(18)21(14)24;/h2-10,12-13H,1,11H2;1H/q+1;/p-1/b10-7+;