dimethylazanium; 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate

Systemtic Name: dimethylazanium; 4-(2-oxidanylidenepyrrolidin-1-yl)benzenesulfonate Openeye Name: dimethylammonium; 4-(2-oxopyrrolidin-1-yl)benzenesulfonate CAS Name: dimethylammonium; 4-(2-oxo-1-pyrrolidinyl)benzenesulfonate IUPAC Name: dimethylazanium; 4-(2-oxopyrrolidin-1-yl)benzenesulfonate Traditional Name: dimethylammonium; 4-(2-ketopyrrolidino)besylate Formula: C12H18N2O4S MolecularWeight: 286.34732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH2+]C.C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)[O-]

Isomeric SMILES

C[NH2+]C.C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)[O-]

InChI

InChI=1S/C10H11NO4S.C2H7N/c12-10-2-1-7-11(10)8-3-5-9(6-4-8)16(13,14)15;1-3-2/h3-6H,1-2,7H2,(H,13,14,15);3H,1-2H3