dimethyl(2-oxidanylidenepropyl)azanium; [(E)-prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: dimethyl(2-oxidanylidenepropyl)azanium; [(E)-prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: acetonyl(dimethyl)ammonium; [(E)-prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: dimethyl(2-oxopropyl)ammonium; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-prop-1-enyl] ester IUPAC Name: dimethyl(2-oxopropyl)azanium; [(E)-prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: acetonyl(dimethyl)ammonium; 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(E)-prop-1-enyl] ester Formula: C15H23N2O4S+ MolecularWeight: 327.41912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO3S.C5H11NO/c1-2-4-14-10(13)7-3-5-15-9-6-8(12)11(7)9;1-5(7)4-6(2)3/h2-4,9H,5-6H2,1H3;4H2,1-3H3/p+1/b4-2+;