3-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-methyl-4-phenyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate

Systemtic Name: 3-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-methyl-4-phenyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Openeye Name: 3-[2-[(E)-2-(2,4-dimethoxyphenyl)vinyl]-5-methyl-4-phenyl-thiazol-3-ium-3-yl]propane-1-sulfonate CAS Name: 3-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-methyl-4-phenyl-3-thiazol-3-iumyl]-1-propanesulfonate IUPAC Name: 3-[2-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-5-methyl-4-phenyl-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate Traditional Name: 3-[2-[(E)-2-(2,4-dimethoxyphenyl)vinyl]-5-methyl-4-phenyl-thiazol-3-ium-3-yl]propane-1-sulfonate Formula: C23H25NO5S2 MolecularWeight: 459.5783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(S1)C=CC2=C(C=C(C=C2)OC)OC)CCCS(=O)(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CC1=C([N+](=C(S1)/C=C/C2=C(C=C(C=C2)OC)OC)CCCS(=O)(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C23H25NO5S2/c1-17-23(19-8-5-4-6-9-19)24(14-7-15-31(25,26)27)22(30-17)13-11-18-10-12-20(28-2)16-21(18)29-3/h4-6,8-13,16H,7,14-15H2,1-3H3/b13-11+