7-azanyl-8-oxidanylidene-3-[(E)-3-(3-oxidanylpyridin-1-ium-1-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(E)-3-(3-oxidanylpyridin-1-ium-1-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[(E)-3-(3-hydroxy-1-pyridin-1-iumyl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(E)-3-(3-hydroxypyridin-1-ium-1-yl)prop-1-enyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H16N3O4S+ MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)C=CC[N+]3=CC=CC(=C3)O

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)/C=C/C[N+]3=CC=CC(=C3)O

InChI

InChI=1S/C15H15N3O4S/c16-11-13(20)18-12(15(21)22)9(8-23-14(11)18)3-1-5-17-6-2-4-10(19)7-17/h1-4,6-7,11,14H,5,8,16H2,(H-,19,21,22)/p+1/b3-1+