sodium; 3-butyl-1-ethenyl-aziridin-2-one; hydrogen carbonate

Systemtic Name: sodium; 3-butyl-1-ethenyl-aziridin-2-one; hydrogen carbonate Openeye Name: sodium; 3-butyl-1-vinyl-aziridin-2-one; hydrogen carbonate CAS Name: sodium; 3-butyl-1-ethenyl-2-aziridinone; hydrogen carbonate IUPAC Name: sodium; 3-butyl-1-ethenylaziridin-2-one; hydrogen carbonate Traditional Name: sodium 3-butyl-1-vinyl-ethylenimin-2-one bicarbonate Formula: C9H13NNaO4- MolecularWeight: 222.19359

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[CH-]C1C(=O)N1C=C.C(=O)(O)[O-].[Na+]

Isomeric SMILES

CCC[CH-]C1C(=O)N1C=C.C(=O)(O)[O-].[Na+]

InChI

InChI=1S/C8H12NO.CH2O3.Na/c1-3-5-6-7-8(10)9(7)4-2;2-1(3)4;/h4,6-7H,2-3,5H2,1H3;(H2,2,3,4);/q-1;;+1/p-1