[2-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl] sulfate; tetrabutylazanium

Systemtic Name: [2-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl] sulfate; tetrabutylazanium Openeye Name: [2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl] sulfate; tetrabutylammonium CAS Name: [2-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl] sulfate; tetrabutylammonium IUPAC Name: [2-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl] sulfate; tetrabutylazanium Traditional Name: [2-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl] sulfate; tetrabutylammonium Formula: C27H47N3O6S MolecularWeight: 541.74358

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)CC2=CC=CC=C2

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1C(C(=O)N1OS(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H36N.C11H12N2O6S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;14-10(6-8-4-2-1-3-5-8)12-9-7-13(11(9)15)19-20(16,17)18/h5-16H2,1-4H3;1-5,9H,6-7H2,(H,12,14)(H,16,17,18)/q+1;/p-1