[1-(2-ethanoylsulfanylpropanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid

Systemtic Name: [1-(2-ethanoylsulfanylpropanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid Openeye Name: [1-(2-acetylsulfanylpropanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid CAS Name: [1-[2-(acetylthio)-1-oxopropyl]-1-pyrrolidin-1-iumyl]phosphonic acid IUPAC Name: [1-(2-acetylsulfanylpropanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid Traditional Name: [1-[2-(acetylthio)propanoyl]pyrrolidin-1-ium-1-yl]phosphonic acid Formula: C9H17NO5PS+ MolecularWeight: 282.273741

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[N+]1(CCCC1)P(=O)(O)O)SC(=O)C

Isomeric SMILES

CC(C(=O)[N+]1(CCCC1)P(=O)(O)O)SC(=O)C

InChI

InChI=1S/C9H16NO5PS/c1-7(17-8(2)11)9(12)10(16(13,14)15)5-3-4-6-10/h7H,3-6H2,1-2H3,(H-,13,14,15)/p+1