[(E)-3-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)prop-2-enyl]-dimethyl-(3-oxidanylpropyl)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]-dimethyl-(3-oxidanylpropyl)azanium Openeye Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-(3-hydroxypropyl)-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]-(3-hydroxypropyl)-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]-(3-hydroxypropyl)-dimethylazanium Traditional Name: [(E)-3-(7-amino-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl)allyl]-(3-hydroxypropyl)-dimethyl-ammonium Formula: C15H24N3O4S+ MolecularWeight: 342.43376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O4S/c1-18(2,7-4-8-19)6-3-5-10-9-23-14-11(16)13(20)17(14)12(10)15(21)22/h3,5,11,14,19H,4,6-9,16H2,1-2H3/p+1/b5-3+