3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid

Systemtic Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Openeye Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid CAS Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid IUPAC Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Traditional Name: 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propionic acid Formula: C11H12NO2S+ MolecularWeight: 222.28348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2S1)CCC(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2S1)CCC(=O)O

InChI

InChI=1S/C11H11NO2S/c1-8-12(7-6-11(13)14)9-4-2-3-5-10(9)15-8/h2-5H,6-7H2,1H3/p+1