(2-cyano-4-fluoranyl-pyrrolidin-1-yl)carbonyloxycarbonyl-[(4-methoxyphenyl)methylsulfanyl]-methyl-propyl-azanium

Systemtic Name: (2-cyano-4-fluoranyl-pyrrolidin-1-yl)carbonyloxycarbonyl-[(4-methoxyphenyl)methylsulfanyl]-methyl-propyl-azanium Openeye Name: (2-cyano-4-fluoro-pyrrolidine-1-carbonyl)oxycarbonyl-[(4-methoxyphenyl)methylsulfanyl]-methyl-propyl-ammonium CAS Name: [[(2-cyano-4-fluoro-1-pyrrolidinyl)-oxomethoxy]-oxomethyl]-[(4-methoxyphenyl)methylthio]-methyl-propylammonium IUPAC Name: (2-cyano-4-fluoropyrrolidine-1-carbonyl)oxycarbonyl-[(4-methoxyphenyl)methylsulfanyl]-methyl-propylazanium Traditional Name: (2-cyano-4-fluoro-pyrrolidine-1-carbonyl)oxycarbonyl-methyl-(p-anisylthio)-propyl-ammonium Formula: C19H25FN3O4S+ MolecularWeight: 410.482903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCC[N+](C)(C(=O)OC(=O)N1CC(CC1C#N)F)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C19H25FN3O4S/c1-4-9-23(2,28-13-14-5-7-17(26-3)8-6-14)19(25)27-18(24)22-12-15(20)10-16(22)11-21/h5-8,15-16H,4,9-10,12-13H2,1-3H3/q+1