7-(2-bromanylpropanoylamino)-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-bromanylpropanoylamino)-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(2-bromopropanoylamino)-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[(2-bromo-1-oxopropyl)amino]-3-[(E)-3-(4-methyl-4-morpholin-4-iumyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(2-bromopropanoylamino)-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(2-bromopropanoylamino)-8-keto-3-[(E)-3-(4-methylmorpholin-4-ium-4-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H25BrN3O5S+ MolecularWeight: 475.3772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1C2N(C1=O)C(=C(CS2)C=CC[N+]3(CCOCC3)C)C(=O)O)Br

Isomeric SMILES

CC(C(=O)NC1C2N(C1=O)C(=C(CS2)/C=C/C[N+]3(CCOCC3)C)C(=O)O)Br

InChI

InChI=1S/C18H24BrN3O5S/c1-11(19)15(23)20-13-16(24)21-14(18(25)26)12(10-28-17(13)21)4-3-5-22(2)6-8-27-9-7-22/h3-4,11,13,17H,5-10H2,1-2H3,(H-,20,23,25,26)/p+1/b4-3+