2-methyl-5-oxidanylidene-4-(2-phenylethanoylamino)pyrazolidine-1-sulfonate; tetrabutylazanium

Systemtic Name: 2-methyl-5-oxidanylidene-4-(2-phenylethanoylamino)pyrazolidine-1-sulfonate; tetrabutylazanium Openeye Name: 2-methyl-5-oxo-4-[(2-phenylacetyl)amino]pyrazolidine-1-sulfonate; tetrabutylammonium CAS Name: 2-methyl-5-oxo-4-[(1-oxo-2-phenylethyl)amino]-1-pyrazolidinesulfonate; tetrabutylammonium IUPAC Name: 2-methyl-5-oxo-4-[(2-phenylacetyl)amino]pyrazolidine-1-sulfonate; tetrabutylazanium Traditional Name: 5-keto-2-methyl-4-[(2-phenylacetyl)amino]pyrazolidine-1-sulfonate; tetrabutylammonium Formula: C28H50N4O5S MolecularWeight: 554.7854

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.CN1CC(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.CN1CC(C(=O)N1S(=O)(=O)[O-])NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H36N.C12H15N3O5S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-14-8-10(12(17)15(14)21(18,19)20)13-11(16)7-9-5-3-2-4-6-9/h5-16H2,1-4H3;2-6,10H,7-8H2,1H3,(H,13,16)(H,18,19,20)/q+1;/p-1