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

Systemtic Name: 2-azanylethyl-[(E)-3-(2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)prop-2-enyl]-dimethyl-azanium Openeye Name: 2-aminoethyl-[(E)-3-(2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)allyl]-dimethyl-ammonium CAS Name: 2-aminoethyl-[(E)-3-(2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)prop-2-enyl]-dimethylammonium IUPAC Name: 2-aminoethyl-[(E)-3-(2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)prop-2-enyl]-dimethylazanium Traditional Name: 2-aminoethyl-[(E)-3-(2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)allyl]-dimethyl-ammonium Formula: C14H22N3O3S+ MolecularWeight: 312.40778

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCN)CC=CC1C2N(C1=O)C(=CCS2)C(=O)O

Isomeric SMILES

C[N+](C)(CCN)C/C=C/C1C2N(C1=O)C(=CCS2)C(=O)O

InChI

InChI=1S/C14H21N3O3S/c1-17(2,8-6-15)7-3-4-10-12(18)16-11(14(19)20)5-9-21-13(10)16/h3-5,10,13H,6-9,15H2,1-2H3/p+1/b4-3+