1-[3-methyl-4-oxidanyl-2-(3-thiophen-2-ylpropyl)-1,3-oxazol-3-ium-5-yl]ethanone

Systemtic Name: 1-[3-methyl-4-oxidanyl-2-(3-thiophen-2-ylpropyl)-1,3-oxazol-3-ium-5-yl]ethanone Openeye Name: 1-[4-hydroxy-3-methyl-2-[3-(2-thienyl)propyl]oxazol-3-ium-5-yl]ethanone CAS Name: 1-[4-hydroxy-3-methyl-2-(3-thiophen-2-ylpropyl)-5-oxazol-3-iumyl]ethanone IUPAC Name: 1-[4-hydroxy-3-methyl-2-(3-thiophen-2-ylpropyl)-1,3-oxazol-3-ium-5-yl]ethanone Traditional Name: 1-[4-hydroxy-3-methyl-2-[3-(2-thienyl)propyl]oxazol-3-ium-5-yl]ethanone Formula: C13H16NO3S+ MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C([N+](=C(O1)CCCC2=CC=CS2)C)O

Isomeric SMILES

CC(=O)C1=C([N+](=C(O1)CCCC2=CC=CS2)C)O

InChI

InChI=1S/C13H15NO3S/c1-9(15)12-13(16)14(2)11(17-12)7-3-5-10-6-4-8-18-10/h4,6,8H,3,5,7H2,1-2H3/p+1