ethyl 2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylethanoate

Systemtic Name: ethyl 2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylethanoate Openeye Name: ethyl 2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylacetate CAS Name: 2-(11-pyrido[1,2-b]cinnolin-6-iumylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-pyrido[1,2-b]cinnolin-6-ium-11-ylsulfanylacetate Traditional Name: 2-(pyrido[1,2-b]cinnolin-6-ium-11-ylthio)acetic acid ethyl ester Formula: C16H15N2O2S+ MolecularWeight: 299.3675

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C2C=CC=C[N+]2=NC3=CC=CC=C31

Isomeric SMILES

CCOC(=O)CSC1=C2C=CC=C[N+]2=NC3=CC=CC=C31

InChI

InChI=1S/C16H15N2O2S/c1-2-20-15(19)11-21-16-12-7-3-4-8-13(12)17-18-10-6-5-9-14(16)18/h3-10H,2,11H2,1H3/q+1