trimethyl-[4-oxidanyl-4-oxidanylidene-2-[3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoyloxy]butyl]azanium

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoyloxy]butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-[3-(2-thioxo-1,3-dihydroimidazol-4-yl)propanoyloxy]butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-oxo-2-[1-oxo-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propoxy]butyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-[3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propanoyloxy]butyl]-trimethylazanium Traditional Name: [4-hydroxy-4-keto-2-[3-(2-thioxo-4-imidazolin-4-yl)propanoyloxy]butyl]-trimethyl-ammonium Formula: C13H22N3O4S+ MolecularWeight: 316.39648

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)CCC1=CNC(=S)N1

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)OC(=O)CCC1=CNC(=S)N1

InChI

InChI=1S/C13H21N3O4S/c1-16(2,3)8-10(6-11(17)18)20-12(19)5-4-9-7-14-13(21)15-9/h7,10H,4-6,8H2,1-3H3,(H2-,14,15,17,18,21)/p+1