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

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

Systemtic Name:2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium
Openeye Name:2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium
CAS Name:2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium
IUPAC Name:2-[(E)-2-(2,5-dimethoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium
Traditional Name:2-[(E)-2-(2,5-dimethoxyphenyl)vinyl]-3-methyl-1,3-benzothiazol-3-ium
Formula: C18H18NO2S+
MolecularWeight: 312.40602
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H18NO2S/c1-19-15-6-4-5-7-17(15)22-18(19)11-8-13-12-14(20-2)9-10-16(13)21-3/h4-12H,1-3H3/q+1/b11-8+


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