[1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methylsulfamic acid

Systemtic Name: [1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methylsulfamic acid Openeye Name: [1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methylsulfamic acid CAS Name: [1-(2-mercaptoethyl)-4-pyridin-1-iumyl]methylsulfamic acid IUPAC Name: [1-(2-sulfanylethyl)pyridin-1-ium-4-yl]methylsulfamic acid Traditional Name: [1-(2-mercaptoethyl)pyridin-1-ium-4-yl]methylsulfamic acid Formula: C8H13N2O3S2+ MolecularWeight: 249.33042

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1CNS(=O)(=O)O)CCS

Isomeric SMILES

C1=C[N+](=CC=C1CNS(=O)(=O)O)CCS

InChI

InChI=1S/C8H12N2O3S2/c11-15(12,13)9-7-8-1-3-10(4-2-8)5-6-14/h1-4,9H,5-7H2,(H-,11,12,13,14)/p+1