ethyl 2-(3-oxidanylpyridin-1-ium-1-yl)propanoate; 4-methylbenzenesulfonate

Systemtic Name: ethyl 2-(3-oxidanylpyridin-1-ium-1-yl)propanoate; 4-methylbenzenesulfonate Openeye Name: ethyl 2-(3-hydroxypyridin-1-ium-1-yl)propanoate; 4-methylbenzenesulfonate CAS Name: 2-(3-hydroxy-1-pyridin-1-iumyl)propanoic acid ethyl ester; 4-methylbenzenesulfonate IUPAC Name: ethyl 2-(3-hydroxypyridin-1-ium-1-yl)propanoate; 4-methylbenzenesulfonate Traditional Name: 2-(3-hydroxypyridin-1-ium-1-yl)propionic acid ethyl ester tosylate Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)[N+]1=CC=CC(=C1)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCOC(=O)C(C)[N+]1=CC=CC(=C1)O.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H13NO3.C7H8O3S/c1-3-14-10(13)8(2)11-6-4-5-9(12)7-11;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)