4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butanoate

Systemtic Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butanoate Openeye Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butanoate CAS Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butanoate IUPAC Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butanoate Traditional Name: 4-(3-methyl-1,3-benzothiazol-3-ium-2-yl)butyrate Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(SC2=CC=CC=C21)CCCC(=O)[O-]

Isomeric SMILES

C[N+]1=C(SC2=CC=CC=C21)CCCC(=O)[O-]

InChI

InChI=1S/C12H13NO2S/c1-13-9-5-2-3-6-10(9)16-11(13)7-4-8-12(14)15/h2-3,5-6H,4,7-8H2,1H3