3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoate; 4-methylbenzenesulfonate

Systemtic Name: 3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoate; 4-methylbenzenesulfonate Openeye Name: 3-[5-(aminomethyl)isoxazol-3-yl]propanoate; 4-methylbenzenesulfonate CAS Name: 3-[5-(aminomethyl)-3-isoxazolyl]propanoate; 4-methylbenzenesulfonate IUPAC Name: 3-[5-(aminomethyl)-1,2-oxazol-3-yl]propanoate; 4-methylbenzenesulfonate Traditional Name: 3-[5-(aminomethyl)isoxazol-3-yl]propionate tosylate Formula: C14H16N2O6S-2 MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C(ON=C1CCC(=O)[O-])CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C1=C(ON=C1CCC(=O)[O-])CN

InChI

InChI=1S/C7H10N2O3.C7H8O3S/c8-4-6-3-5(9-12-6)1-2-7(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h3H,1-2,4,8H2,(H,10,11);2-5H,1H3,(H,8,9,10)/p-2