sodium 2-(1-ethanoylpiperidin-4-yl)sulfanylcyclopentene-1-carboxylate

Systemtic Name: sodium 2-(1-ethanoylpiperidin-4-yl)sulfanylcyclopentene-1-carboxylate Openeye Name: sodium 2-[(1-acetyl-4-piperidyl)sulfanyl]cyclopentene-1-carboxylate CAS Name: sodium 2-[(1-acetyl-4-piperidinyl)thio]-1-cyclopentenecarboxylate IUPAC Name: sodium 2-(1-acetylpiperidin-4-yl)sulfanylcyclopentene-1-carboxylate Traditional Name: sodium 2-[(1-acetyl-4-piperidyl)thio]cyclopentene-1-carboxylate Formula: C13H18NNaO3S MolecularWeight: 291.34169

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)SC2=C(CCC2)C(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)N1CCC(CC1)SC2=C(CCC2)C(=O)[O-].[Na+]

InChI

InChI=1S/C13H19NO3S.Na/c1-9(15)14-7-5-10(6-8-14)18-12-4-2-3-11(12)13(16)17;/h10H,2-8H2,1H3,(H,16,17);/q;+1/p-1