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

Systemtic Name: 3-[3-methyl-2-(2-oxidanylidenepropylsulfanyl)imidazol-3-ium-1-yl]propanamide Openeye Name: 3-(2-acetonylsulfanyl-3-methyl-imidazol-3-ium-1-yl)propanamide CAS Name: 3-[3-methyl-2-(2-oxopropylthio)-1-imidazol-3-iumyl]propanamide IUPAC Name: 3-[3-methyl-2-(2-oxopropylsulfanyl)imidazol-3-ium-1-yl]propanamide Traditional Name: 3-[2-(acetonylthio)-3-methyl-imidazol-3-ium-1-yl]propionamide Formula: C10H16N3O2S+ MolecularWeight: 242.31794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H15N3O2S/c1-8(14)7-16-10-12(2)5-6-13(10)4-3-9(11)15/h5-6H,3-4,7H2,1-2H3,(H-,11,15)/p+1