[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]acetic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetate Traditional Name: 2-[(1-oxidopyridin-1-ium-2-yl)thio]acetic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S/c16-15(21)11-4-7-17(8-5-11)12(19)9-23-14(20)10-24-13-3-1-2-6-18(13)22/h1-3,6,11H,4-5,7-10H2,(H2,16,21)