4-ethyl-5-(1-methylpyridin-1-ium-3-yl)imino-2-propyl-1,2,4-thiadiazolidin-3-one iodide

Systemtic Name: 4-ethyl-5-(1-methylpyridin-1-ium-3-yl)imino-2-propyl-1,2,4-thiadiazolidin-3-one iodide Openeye Name: 4-ethyl-5-(1-methylpyridin-1-ium-3-yl)imino-2-propyl-1,2,4-thiadiazolidin-3-one iodide CAS Name: 4-ethyl-5-[(1-methyl-3-pyridin-1-iumyl)imino]-2-propyl-1,2,4-thiadiazolidin-3-one iodide IUPAC Name: 4-ethyl-5-(1-methylpyridin-1-ium-3-yl)imino-2-propyl-1,2,4-thiadiazolidin-3-one iodide Traditional Name: 4-ethyl-5-(1-methylpyridin-1-ium-3-yl)imino-2-propyl-1,2,4-thiadiazolidin-3-one iodide Formula: C13H19IN4OS MolecularWeight: 406.28563

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)N(C(=NC2=C[N+](=CC=C2)C)S1)CC.[I-]

Isomeric SMILES

CCCN1C(=O)N(C(=NC2=C[N+](=CC=C2)C)S1)CC.[I-]

InChI

InChI=1S/C13H19N4OS.HI/c1-4-8-17-13(18)16(5-2)12(19-17)14-11-7-6-9-15(3)10-11;/h6-7,9-10H,4-5,8H2,1-3H3;1H/q+1;/p-1