2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)ethanone Openeye Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]ethanone IUPAC Name: 2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]-1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H17N3O3S/c20-14(11-23-15-5-1-2-8-19(15)22)12-9-13(17-10-12)16(21)18-6-3-4-7-18/h1-2,5,8-10,17H,3-4,6-7,11H2