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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium Formula: C18H16NO3S+ MolecularWeight: 326.38954

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=C1C=C(C=C2)OC)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H16NO3S/c1-19-14-10-13(20-2)5-7-17(14)23-18(19)8-4-12-3-6-15-16(9-12)22-11-21-15/h3-10H,11H2,1-2H3/q+1/b8-4+