ethyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C14H19N3O4S/c1-2-21-14(19)16-9-7-15(8-10-16)12(18)11-22-13-5-3-4-6-17(13)20/h3-6H,2,7-11H2,1H3