6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrabutylazanium

Systemtic Name: 6-bromanyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrabutylazanium Openeye Name: 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrabutylammonium CAS Name: 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrabutylammonium IUPAC Name: 6-bromo-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrabutylazanium Traditional Name: 6-bromo-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate; tetrabutylammonium Formula: C24H45BrN2O3S MolecularWeight: 521.5947

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CC1(C(N2C(S1)C(C2=O)Br)C(=O)[O-])C

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CC1(C(N2C(S1)C(C2=O)Br)C(=O)[O-])C

InChI

InChI=1S/C16H36N.C8H10BrNO3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h5-16H2,1-4H3;3-4,6H,1-2H3,(H,12,13)/q+1;/p-1