3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid

Systemtic Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Openeye Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid CAS Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid IUPAC Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Traditional Name: 3-(6-methoxy-2-methyl-1,3-benzothiazol-3-ium-3-yl)propionic acid Formula: C12H14NO3S+ MolecularWeight: 252.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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