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

Systemtic Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-(1,3-benzodioxol-5-yl)vinyl]-3-ethyl-5-methoxy-1,3-benzothiazol-3-ium Formula: C19H18NO3S+ MolecularWeight: 340.41612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18NO3S/c1-3-20-15-11-14(21-2)6-8-18(15)24-19(20)9-5-13-4-7-16-17(10-13)23-12-22-16/h4-11H,3,12H2,1-2H3/q+1/b9-5+