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

Systemtic Name: 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]chromen-4-one bromide CAS Name: 3-[(E)-2-(3-prop-2-enyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1-benzopyran-4-one bromide IUPAC Name: 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]chromone bromide Formula: C21H16BrNO2S MolecularWeight: 426.32624

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC2=CC=CC=C21)C=CC3=COC4=CC=CC=C4C3=O.[Br-]

Isomeric SMILES

C=CC[N+]1=C(SC2=CC=CC=C21)/C=C/C3=COC4=CC=CC=C4C3=O.[Br-]

InChI

InChI=1S/C21H16NO2S.BrH/c1-2-13-22-17-8-4-6-10-19(17)25-20(22)12-11-15-14-24-18-9-5-3-7-16(18)21(15)23;/h2-12,14H,1,13H2;1H/q+1;/p-1/b12-11+;