1-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]pyrrolidin-2-one

Systemtic Name: 1-[4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]phenyl]pyrrolidin-2-one Openeye Name: 1-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]pyrrolidin-2-one CAS Name: 1-[4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]phenyl]-2-pyrrolidinone IUPAC Name: 1-[4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]phenyl]pyrrolidin-2-one Traditional Name: 1-[4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]phenyl]-2-pyrrolidone Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H16N2O3S/c20-15(12-23-17-5-1-2-11-19(17)22)13-6-8-14(9-7-13)18-10-3-4-16(18)21/h1-2,5-9,11H,3-4,10,12H2