1-(2-sulfanylethyl)pyridin-1-ium-4-carboxylic acid nitrate

Systemtic Name: 1-(2-sulfanylethyl)pyridin-1-ium-4-carboxylic acid nitrate Openeye Name: 1-(2-sulfanylethyl)pyridin-1-ium-4-carboxylic acid nitrate CAS Name: 1-(2-mercaptoethyl)-4-pyridin-1-iumcarboxylic acid nitrate IUPAC Name: 1-(2-sulfanylethyl)pyridin-1-ium-4-carboxylic acid nitrate Traditional Name: 1-(2-mercaptoethyl)pyridin-1-ium-4-carboxylic acid nitrate Formula: C8H10N2O5S MolecularWeight: 246.2404

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)O)CCS.[N+](=O)([O-])[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)O)CCS.[N+](=O)([O-])[O-]

InChI

InChI=1S/C8H9NO2S.NO3/c10-8(11)7-1-3-9(4-2-7)5-6-12;2-1(3)4/h1-4H,5-6H2,(H-,10,11,12);/q;-1/p+1