[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid

Systemtic Name: [1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid Openeye Name: [1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid CAS Name: [1-[3-(acetylthio)-2-methyl-1-oxopropyl]-1-pyrrolidin-1-iumyl]phosphonic acid IUPAC Name: [1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidin-1-ium-1-yl]phosphonic acid Traditional Name: [1-[3-(acetylthio)-2-methyl-propanoyl]pyrrolidin-1-ium-1-yl]phosphonic acid Formula: C10H19NO5PS+ MolecularWeight: 296.300321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H18NO5PS/c1-8(7-18-9(2)12)10(13)11(17(14,15)16)5-3-4-6-11/h8H,3-7H2,1-2H3,(H-,14,15,16)/p+1