methyl 3-[3-methyl-2-(2-oxidanylidenepropylsulfanyl)imidazol-3-ium-1-yl]propanoate

Systemtic Name: methyl 3-[3-methyl-2-(2-oxidanylidenepropylsulfanyl)imidazol-3-ium-1-yl]propanoate Openeye Name: methyl 3-(2-acetonylsulfanyl-3-methyl-imidazol-3-ium-1-yl)propanoate CAS Name: 3-[3-methyl-2-(2-oxopropylthio)-1-imidazol-3-iumyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3-methyl-2-(2-oxopropylsulfanyl)imidazol-3-ium-1-yl]propanoate Traditional Name: 3-[2-(acetonylthio)-3-methyl-imidazol-3-ium-1-yl]propionic acid methyl ester Formula: C11H17N2O3S+ MolecularWeight: 257.32928

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=[N+](C=CN1CCC(=O)OC)C

Isomeric SMILES

CC(=O)CSC1=[N+](C=CN1CCC(=O)OC)C

InChI

InChI=1S/C11H17N2O3S/c1-9(14)8-17-11-12(2)6-7-13(11)5-4-10(15)16-3/h6-7H,4-5,8H2,1-3H3/q+1