7-azanyl-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-azanyl-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-amino-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-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-amino-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-amino-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: C15H22N3O4S+ MolecularWeight: 340.41788

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCOCC1)CC=CC2=C(N3C(C(C3=O)N)SC2)C(=O)O

Isomeric SMILES

C[N+]1(CCOCC1)C/C=C/C2=C(N3C(C(C3=O)N)SC2)C(=O)O

InChI

InChI=1S/C15H21N3O4S/c1-18(5-7-22-8-6-18)4-2-3-10-9-23-14-11(16)13(19)17(14)12(10)15(20)21/h2-3,11,14H,4-9,16H2,1H3/p+1/b3-2+