(E)-(2-carboxyoxy-4-methyl-thiolan-3-ylidene)-oxidanyl-propyl-azanium

Systemtic Name: (E)-(2-carboxyoxy-4-methyl-thiolan-3-ylidene)-oxidanyl-propyl-azanium Openeye Name: (E)-(2-carboxyoxy-4-methyl-tetrahydrothiophen-3-ylidene)-hydroxy-propyl-ammonium CAS Name: (E)-(2-carboxyoxy-4-methyl-3-thiolanylidene)-hydroxy-propylammonium IUPAC Name: (E)-(2-carboxyoxy-4-methylthiolan-3-ylidene)-hydroxy-propylazanium Traditional Name: (E)-(2-carboxyoxy-4-methyl-tetrahydrothiophen-3-ylidene)-hydroxy-propyl-ammonium Formula: C9H16NO4S+ MolecularWeight: 234.29264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](=C1C(CSC1OC(=O)O)C)O

Isomeric SMILES

CCC/[N+](=C\1/C(CSC1OC(=O)O)C)/O

InChI

InChI=1S/C9H15NO4S/c1-3-4-10(13)7-6(2)5-15-8(7)14-9(11)12/h6,8H,3-5H2,1-2H3,(H-,11,12,13)/p+1/b10-7+