3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate

Systemtic Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate Openeye Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate CAS Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate IUPAC Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoate Traditional Name: 3-(5-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propionate Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCC(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(S1)C=CC(=C2)OC)CCC(=O)[O-]

InChI

InChI=1S/C12H13NO3S/c1-8-13(6-5-12(14)15)10-7-9(16-2)3-4-11(10)17-8/h3-4,7H,5-6H2,1-2H3