(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-dimethyl-azanium; [(E)-prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)-dimethyl-azanium; [(E)-prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [2-amino-1-(hydroxymethyl)-2-oxo-ethyl]-dimethyl-ammonium; [(E)-prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (1-amino-3-hydroxy-1-oxopropan-2-yl)-dimethylammonium; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-prop-1-enyl] ester IUPAC Name: (1-amino-3-hydroxy-1-oxopropan-2-yl)-dimethylazanium; [(E)-prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (2-amino-2-keto-1-methylol-ethyl)-dimethyl-ammonium; 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-prop-1-enyl] ester Formula: C15H24N3O5S+ MolecularWeight: 358.43316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=COC(=O)C1=CCSC2N1C(=O)C2.C[NH+](C)C(CO)C(=O)N

Isomeric SMILES

C/C=C/OC(=O)C1=CCSC2N1C(=O)C2.C[NH+](C)C(CO)C(=O)N

InChI

InChI=1S/C10H11NO3S.C5H12N2O2/c1-2-4-14-10(13)7-3-5-15-9-6-8(12)11(7)9;1-7(2)4(3-8)5(6)9/h2-4,9H,5-6H2,1H3;4,8H,3H2,1-2H3,(H2,6,9)/p+1/b4-2+;