2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylethanoic acid

Systemtic Name: 2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylethanoic acid Openeye Name: 2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylacetic acid CAS Name: 2-(11-pyrido[1,2-b]cinnolin-6-iumylthio)acetic acid IUPAC Name: 2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylacetic acid Traditional Name: 2-(pyrido[1,2-b]cinnolin-6-ium-11-ylthio)acetic acid Formula: C14H11N2O2S+ MolecularWeight: 271.31434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=C[N+]3=N2)SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=C[N+]3=N2)SCC(=O)O

InChI

InChI=1S/C14H10N2O2S/c17-13(18)9-19-14-10-5-1-2-6-11(10)15-16-8-4-3-7-12(14)16/h1-8H,9H2/p+1