2,2-dimethyl-1,2-oxaziridin-2-ium-3-thione; methyl 3-phenylpropanoate

Systemtic Name: 2,2-dimethyl-1,2-oxaziridin-2-ium-3-thione; methyl 3-phenylpropanoate Openeye Name: 2,2-dimethyloxaziridin-2-ium-3-thione; methyl 3-phenylpropanoate CAS Name: 2,2-dimethyl-3-oxaziridin-2-iumthione; 3-phenylpropanoic acid methyl ester IUPAC Name: 2,2-dimethyloxaziridin-2-ium-3-thione; methyl 3-phenylpropanoate Traditional Name: 2,2-dimethyloxaziridin-2-ium-3-thione; 3-phenylpropionic acid methyl ester Formula: C13H18NO3S+ MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=S)O1)C.COC(=O)CCC1=CC=CC=C1

Isomeric SMILES

C[N+]1(C(=S)O1)C.COC(=O)CCC1=CC=CC=C1

InChI

InChI=1S/C10H12O2.C3H6NOS/c1-12-10(11)8-7-9-5-3-2-4-6-9;1-4(2)3(6)5-4/h2-6H,7-8H2,1H3;1-2H3/q;+1