[(E)-3-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-trimethyl-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]-trimethyl-azanium Openeye Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-trimethyl-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]-trimethylammonium 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]-trimethylazanium Traditional Name: [(E)-3-(7-amino-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-trimethyl-ammonium Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S/c1-16(2,3)6-4-5-8-7-20-12-9(14)11(17)15(12)10(8)13(18)19/h4-5,9,12H,6-7,14H2,1-3H3/p+1/b5-4+