2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanoic acid

Systemtic Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)ethanoic acid Openeye Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid CAS Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid IUPAC Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid Traditional Name: 2-(2,4-dimethyl-1,3-benzothiazol-3-ium-3-yl)acetic acid Formula: C11H12NO2S+ MolecularWeight: 222.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=[N+]2CC(=O)O)C

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=[N+]2CC(=O)O)C

InChI

InChI=1S/C11H11NO2S/c1-7-4-3-5-9-11(7)12(6-10(13)14)8(2)15-9/h3-5H,6H2,1-2H3/p+1