1-cyclohexyl-1-ethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide

Systemtic Name: 1-cyclohexyl-1-ethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Openeye Name: 1-cyclohexyl-1-ethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide CAS Name: 1-cyclohexyl-1-ethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide IUPAC Name: 1-cyclohexyl-1-ethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Traditional Name: 1-cyclohexyl-1-ethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Formula: C15H24INS2 MolecularWeight: 409.39223

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(CCCC2)C(=S)S1)C3CCCCC3.[I-]

Isomeric SMILES

CC[N+]1(C2=C(CCCC2)C(=S)S1)C3CCCCC3.[I-]

InChI

InChI=1S/C15H24NS2.HI/c1-2-16(12-8-4-3-5-9-12)14-11-7-6-10-13(14)15(17)18-16;/h12H,2-11H2,1H3;1H/q+1;/p-1