4-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzoic acid

Systemtic Name: 4-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzoic acid Openeye Name: 4-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzoic acid CAS Name: 4-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzoic acid IUPAC Name: 4-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzoic acid Traditional Name: 4-(4,5,6,7-tetrahydro-1,2-benzothiazol-2-ium-2-yl)benzoic acid Formula: C14H14NO2S+ MolecularWeight: 260.33146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=[N+](S2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC2=C(C1)C=[N+](S2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H13NO2S/c16-14(17)10-5-7-12(8-6-10)15-9-11-3-1-2-4-13(11)18-15/h5-9H,1-4H2/p+1