potassium 2-(3-oxidanylpiperidin-1-yl)-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate

Systemtic Name: potassium 2-(3-oxidanylpiperidin-1-yl)-4-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)benzoate Openeye Name: potassium 2-(3-hydroxy-1-piperidyl)-4-(5-thioxo-2H-tetrazol-1-yl)benzoate CAS Name: potassium 2-(3-hydroxy-1-piperidinyl)-4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate IUPAC Name: potassium 2-(3-hydroxypiperidin-1-yl)-4-(5-sulfanylidene-2H-tetrazol-1-yl)benzoate Traditional Name: potassium 2-(3-hydroxypiperidino)-4-(5-thioxo-2H-tetrazol-1-yl)benzoate Formula: C13H14KN5O3S MolecularWeight: 359.44526

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C=CC(=C2)N3C(=S)N=NN3)C(=O)[O-])O.[K+]

Isomeric SMILES

C1CC(CN(C1)C2=C(C=CC(=C2)N3C(=S)N=NN3)C(=O)[O-])O.[K+]

InChI

InChI=1S/C13H15N5O3S.K/c19-9-2-1-5-17(7-9)11-6-8(3-4-10(11)12(20)21)18-13(22)14-15-16-18;/h3-4,6,9,19H,1-2,5,7H2,(H,20,21)(H,14,16,22);/q;+1/p-1