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

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H19N3O4S/c1-13(25-15-6-2-3-7-20(15)23)16(21)18-8-10-19(11-9-18)17(22)14-5-4-12-24-14/h2-7,12-13H,8-11H2,1H3