(2-imidazo[1,2-a]pyridin-4-ium-4-ylsulfanyl-1-pyridin-2-yl-ethyl) N-methylcarbamate

Systemtic Name: (2-imidazo[1,2-a]pyridin-4-ium-4-ylsulfanyl-1-pyridin-2-yl-ethyl) N-methylcarbamate Openeye Name: [2-imidazo[1,2-a]pyridin-4-ium-4-ylsulfanyl-1-(2-pyridyl)ethyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [2-(4-imidazo[1,2-a]pyridin-4-iumylthio)-1-(2-pyridinyl)ethyl] ester IUPAC Name: (2-imidazo[1,2-a]pyridin-4-ium-4-ylsulfanyl-1-pyridin-2-ylethyl) N-methylcarbamate Traditional Name: N-methylcarbamic acid [2-(imidazo[1,2-a]pyridin-4-ium-4-ylthio)-1-(2-pyridyl)ethyl] ester Formula: C16H17N4O2S+ MolecularWeight: 329.39678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OC(CS[N+]12C=CC=CC1=NC=C2)C3=CC=CC=N3

Isomeric SMILES

CNC(=O)OC(CS[N+]12C=CC=CC1=NC=C2)C3=CC=CC=N3

InChI

InChI=1S/C16H16N4O2S/c1-17-16(21)22-14(13-6-2-4-8-18-13)12-23-20-10-5-3-7-15(20)19-9-11-20/h2-11,14H,12H2,1H3/p+1