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

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl)-dimethyl-azanium; [(E)-prop-1-enyl] 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl)-dimethyl-ammonium; [(E)-prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylate CAS Name: (1-amino-1-oxopropan-2-yl)-dimethylammonium; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid [(E)-prop-1-enyl] ester IUPAC Name: (1-amino-1-oxopropan-2-yl)-dimethylazanium; [(E)-prop-1-enyl] 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylate Traditional Name: (2-amino-2-keto-1-methyl-ethyl)-dimethyl-ammonium; 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-3-carboxylic acid [(E)-prop-1-enyl] ester Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

CC=COC(=O)C1=CN2C(CC2=O)SC1.CC(C(=O)N)[NH+](C)C

Isomeric SMILES

C/C=C/OC(=O)C1=CN2C(CC2=O)SC1.CC(C(=O)N)[NH+](C)C

InChI

InChI=1S/C10H11NO3S.C5H12N2O/c1-2-3-14-10(13)7-5-11-8(12)4-9(11)15-6-7;1-4(5(6)8)7(2)3/h2-3,5,9H,4,6H2,1H3;4H,1-3H3,(H2,6,8)/p+1/b3-2+;