3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid Openeye Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid CAS Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid IUPAC Name: 3-(1,3-benzothiazol-3-ium-3-yl)propanoic acid Traditional Name: 3-(1,3-benzothiazol-3-ium-3-yl)propionic acid Formula: C10H10NO2S+ MolecularWeight: 208.2569

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)[N+](=CS2)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)[N+](=CS2)CCC(=O)O

InChI

InChI=1S/C10H9NO2S/c12-10(13)5-6-11-7-14-9-4-2-1-3-8(9)11/h1-4,7H,5-6H2/p+1