[(E)-1-azanyl-4-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-1-oxidanylidene-but-3-en-2-yl]-ethyl-dimethyl-azanium

Systemtic Name: [(E)-1-azanyl-4-(7-azanyl-2-carboxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-1-oxidanylidene-but-3-en-2-yl]-ethyl-dimethyl-azanium Openeye Name: [(E)-3-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-1-carbamoyl-allyl]-ethyl-dimethyl-ammonium CAS Name: [(E)-1-amino-4-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-1-oxobut-3-en-2-yl]-ethyl-dimethylammonium IUPAC Name: [(E)-1-amino-4-(7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-1-oxobut-3-en-2-yl]-ethyl-dimethylazanium Traditional Name: [(E)-3-(7-amino-2-carboxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)-1-carbamoyl-allyl]-ethyl-dimethyl-ammonium Formula: C15H23N4O4S+ MolecularWeight: 355.43252

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(C)C(C=CC1(C2N(C1=O)C(=CCS2)C(=O)O)N)C(=O)N

Isomeric SMILES

CC[N+](C)(C)C(/C=C/C1(C2N(C1=O)C(=CCS2)C(=O)O)N)C(=O)N

InChI

InChI=1S/C15H22N4O4S/c1-4-19(2,3)10(11(16)20)5-7-15(17)13(23)18-9(12(21)22)6-8-24-14(15)18/h5-7,10,14H,4,8,17H2,1-3H3,(H2-,16,20,21,22)/p+1/b7-5+