3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[4-(methylcarbamoyl)-1-pyridin-1-iumyl]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-[[4-(methylcarbamoyl)pyridin-1-ium-1-yl]methyl]-7-[[2-(2-thienyl)acetyl]amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C22H23N4O5S+ MolecularWeight: 455.50682

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=[N+](C=C1)CC2=C(N3C(CC2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)O

Isomeric SMILES

CNC(=O)C1=CC=[N+](C=C1)CC2=C(N3C(CC2)C(C3=O)NC(=O)CC4=CC=CS4)C(=O)O

InChI

InChI=1S/C22H22N4O5S/c1-23-20(28)13-6-8-25(9-7-13)12-14-4-5-16-18(21(29)26(16)19(14)22(30)31)24-17(27)11-15-3-2-10-32-15/h2-3,6-10,16,18H,4-5,11-12H2,1H3,(H2-,23,24,27,28,30,31)/p+1