1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2-methyl-pyrrolidin-1-ium-1-carboxylic acid

Systemtic Name: 1-(3-ethanoylsulfanyl-2-methyl-propanoyl)-2-methyl-pyrrolidin-1-ium-1-carboxylic acid Openeye Name: 1-(3-acetylsulfanyl-2-methyl-propanoyl)-2-methyl-pyrrolidin-1-ium-1-carboxylic acid CAS Name: 1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-methyl-1-pyrrolidin-1-iumcarboxylic acid IUPAC Name: 1-(3-acetylsulfanyl-2-methylpropanoyl)-2-methylpyrrolidin-1-ium-1-carboxylic acid Traditional Name: 1-[3-(acetylthio)-2-methyl-propanoyl]-2-methyl-pyrrolidin-1-ium-1-carboxylic acid Formula: C12H20NO4S+ MolecularWeight: 274.3565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[N+]1(C(=O)C(C)CSC(=O)C)C(=O)O

Isomeric SMILES

CC1CCC[N+]1(C(=O)C(C)CSC(=O)C)C(=O)O

InChI

InChI=1S/C12H19NO4S/c1-8(7-18-10(3)14)11(15)13(12(16)17)6-4-5-9(13)2/h8-9H,4-7H2,1-3H3/p+1