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

Systemtic Name: 7-azanyl-8-oxidanylidene-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-8-oxo-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-8-oxo-3-[(E)-3-(1-quinolin-1-iumyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-8-oxo-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-8-keto-3-[(E)-3-quinolin-1-ium-1-ylprop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H18N3O3S+ MolecularWeight: 368.42952

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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=CC4=CC=CC=C43

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)O)/C=C/C[N+]3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C19H17N3O3S/c20-15-17(23)22-16(19(24)25)13(11-26-18(15)22)7-4-10-21-9-3-6-12-5-1-2-8-14(12)21/h1-9,15,18H,10-11,20H2/p+1/b7-4+