(phenylmethyl) N-(2-oxidanylidene-1-sulfooxy-azetidin-3-yl)carbamate; tetrabutylazanium

Systemtic Name: (phenylmethyl) N-(2-oxidanylidene-1-sulfooxy-azetidin-3-yl)carbamate; tetrabutylazanium Openeye Name: benzyl N-(2-oxo-1-sulfooxy-azetidin-3-yl)carbamate; tetrabutylammonium CAS Name: N-(2-oxo-1-sulfooxy-3-azetidinyl)carbamic acid (phenylmethyl) ester; tetrabutylammonium IUPAC Name: benzyl N-(2-oxo-1-sulfooxyazetidin-3-yl)carbamate; tetrabutylazanium Traditional Name: N-(2-keto-1-sulfoxy-azetidin-3-yl)carbamic acid benzyl ester; tetrabutylammonium Formula: C27H48N3O7S+ MolecularWeight: 558.75092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1C(C(=O)N1OS(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1C(C(=O)N1OS(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H36N.C11H12N2O7S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;14-10-9(6-13(10)20-21(16,17)18)12-11(15)19-7-8-4-2-1-3-5-8/h5-16H2,1-4H3;1-5,9H,6-7H2,(H,12,15)(H,16,17,18)/q+1;