1-(methylcarbamoyl)-7-oxidanylidene-6-piperidin-3-ylsulfanyl-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Systemtic Name: 1-(methylcarbamoyl)-7-oxidanylidene-6-piperidin-3-ylsulfanyl-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Openeye Name: 1-(methylcarbamoyl)-7-oxo-6-(3-piperidylsulfanyl)-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid CAS Name: 1-(methylcarbamoyl)-7-oxo-6-(3-piperidinylthio)-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid IUPAC Name: 1-(methylcarbamoyl)-7-oxo-6-piperidin-3-ylsulfanyl-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Traditional Name: 7-keto-1-(methylcarbamoyl)-6-(3-piperidylthio)-1-azoniabicyclo[3.2.0]hept-2-ene-2-carboxylic acid Formula: C14H20N3O4S+ MolecularWeight: 326.3913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)[N+]12C(CC=C1C(=O)O)C(C2=O)SC3CCCNC3

Isomeric SMILES

CNC(=O)[N+]12C(CC=C1C(=O)O)C(C2=O)SC3CCCNC3

InChI

InChI=1S/C14H19N3O4S/c1-15-14(21)17-9(4-5-10(17)13(19)20)11(12(17)18)22-8-3-2-6-16-7-8/h5,8-9,11,16H,2-4,6-7H2,1H3,(H-,15,19,20,21)/p+1