1-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]piperidine-4-carboxamide

Systemtic Name: 1-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]piperidine-4-carboxamide CAS Name: 1-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]isonipecotamide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H17N3O3S/c14-13(18)10-4-7-15(8-5-10)11(17)9-20-12-3-1-2-6-16(12)19/h1-3,6,10H,4-5,7-9H2,(H2,14,18)