3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid

Systemtic Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Openeye Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid CAS Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid IUPAC Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid Traditional Name: 3-(6-methoxy-2,5-dimethyl-1,3-benzothiazol-3-ium-3-yl)propionic acid Formula: C13H16NO3S+ MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1OC)SC(=[N+]2CCC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1OC)SC(=[N+]2CCC(=O)O)C

InChI

InChI=1S/C13H15NO3S/c1-8-6-10-12(7-11(8)17-3)18-9(2)14(10)5-4-13(15)16/h6-7H,4-5H2,1-3H3/p+1