8-oxidanylidene-7-[(prop-2-enylamino)-pyridin-1-ium-1-ylsulfanyl-methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 8-oxidanylidene-7-[(prop-2-enylamino)-pyridin-1-ium-1-ylsulfanyl-methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(allylamino)-pyridin-1-ium-1-ylsulfanyl-methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 8-oxo-7-[(prop-2-enylamino)-(1-pyridin-1-iumylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-7-[(prop-2-enylamino)-pyridin-1-ium-1-ylsulfanylmethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[(allylamino)-(pyridin-1-ium-1-ylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H18N3O3S2+ MolecularWeight: 364.46242

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(C1C2N(C1=O)C(=CCS2)C(=O)O)S[N+]3=CC=CC=C3

Isomeric SMILES

C=CCNC(C1C2N(C1=O)C(=CCS2)C(=O)O)S[N+]3=CC=CC=C3

InChI

InChI=1S/C16H17N3O3S2/c1-2-7-17-13(24-18-8-4-3-5-9-18)12-14(20)19-11(16(21)22)6-10-23-15(12)19/h2-6,8-9,12-13,15,17H,1,7,10H2/p+1