2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C17H14NO2S+ MolecularWeight: 296.36356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H14NO2S/c1-18-13-4-2-3-5-16(13)21-17(18)9-7-12-6-8-14-15(10-12)20-11-19-14/h2-10H,11H2,1H3/q+1/b9-7+