1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C16H17N3O4S MolecularWeight: 347.38888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=[N+]2[O-])C(=O)C3=CC=CO3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=[N+]2[O-])C(=O)C3=CC=CO3

InChI

InChI=1S/C16H17N3O4S/c20-14(12-24-15-5-1-2-6-19(15)22)17-7-9-18(10-8-17)16(21)13-4-3-11-23-13/h1-6,11H,7-10,12H2