2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium-5-ol

Systemtic Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium-5-ol Openeye Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium-5-ol CAS Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium-5-ol IUPAC Name: 2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium-5-ol Traditional Name: 2-[(E)-2-(4-methoxyphenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium-5-ol Formula: C17H16NO2S+ MolecularWeight: 298.37944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO2S/c1-18-15-11-13(19)6-9-16(15)21-17(18)10-5-12-3-7-14(20-2)8-4-12/h3-11H,1-2H3/p+1/b10-5+