[(E)-3-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-(carboxymethyl)-dimethyl-azanium

Systemtic Name: [(E)-3-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-(carboxymethyl)-dimethyl-azanium Openeye Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-(carboxymethyl)-dimethyl-ammonium CAS Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-(carboxymethyl)-dimethylammonium IUPAC Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-(carboxymethyl)-dimethylazanium Traditional Name: [(E)-3-(7-amino-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-(carboxymethyl)-dimethyl-ammonium Formula: C14H20N3O5S+ MolecularWeight: 342.3907

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CC=CC1=C(N2C(C(C2=O)N)SC1)C(=O)O)CC(=O)O

Isomeric SMILES

C[N+](C)(C/C=C/C1=C(N2C(C(C2=O)N)SC1)C(=O)O)CC(=O)O

InChI

InChI=1S/C14H19N3O5S/c1-17(2,6-9(18)19)5-3-4-8-7-23-13-10(15)12(20)16(13)11(8)14(21)22/h3-4,10,13H,5-7,15H2,1-2H3,(H-,18,19,21,22)/p+1/b4-3+