2-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoic acid

Systemtic Name: 2-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]ethanoic acid Openeye Name: 2-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid CAS Name: 2-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid IUPAC Name: 2-[2-[(E)-2-(4-dimethylaminophenyl)ethenyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid Traditional Name: 2-[2-[(E)-2-(4-dimethylaminophenyl)vinyl]-1,3-benzothiazol-3-ium-3-yl]acetic acid Formula: C19H19N2O2S+ MolecularWeight: 339.43136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3S2)CC(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C2=[N+](C3=CC=CC=C3S2)CC(=O)O

InChI

InChI=1S/C19H18N2O2S/c1-20(2)15-10-7-14(8-11-15)9-12-18-21(13-19(22)23)16-5-3-4-6-17(16)24-18/h3-12H,13H2,1-2H3/p+1