1-methyl-N-(2-sulfanylethyl)pyridin-1-ium-3-carboxamide iodide

Systemtic Name: 1-methyl-N-(2-sulfanylethyl)pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-methyl-N-(2-sulfanylethyl)pyridin-1-ium-3-carboxamide iodide CAS Name: N-(2-mercaptoethyl)-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-methyl-N-(2-sulfanylethyl)pyridin-1-ium-3-carboxamide iodide Traditional Name: N-(2-mercaptoethyl)-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C9H13IN2OS MolecularWeight: 324.18179

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NCCS.[I-]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NCCS.[I-]

InChI

InChI=1S/C9H12N2OS.HI/c1-11-5-2-3-8(7-11)9(12)10-4-6-13;/h2-3,5,7H,4,6H2,1H3,(H-,10,12,13);1H