methoxymethyl 7-azanyl-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methoxymethyl 7-azanyl-8-oxidanylidene-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methoxymethyl 7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-(1-pyridin-1-iumylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methoxymethyl ester IUPAC Name: methoxymethyl 7-amino-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methoxymethyl ester Formula: C15H18N3O4S+ MolecularWeight: 336.38612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCOC(=O)C1=C(CSC2N1C(=O)C2N)C[N+]3=CC=CC=C3

Isomeric SMILES

COCOC(=O)C1=C(CSC2N1C(=O)C2N)C[N+]3=CC=CC=C3

InChI

InChI=1S/C15H18N3O4S/c1-21-9-22-15(20)12-10(7-17-5-3-2-4-6-17)8-23-14-11(16)13(19)18(12)14/h2-6,11,14H,7-9,16H2,1H3/q+1