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

Systemtic Name: 1-cyclohexyl-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Openeye Name: 1-cyclohexyl-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide CAS Name: 1-cyclohexyl-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide IUPAC Name: 1-cyclohexyl-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Traditional Name: 1-cyclohexyl-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Formula: C14H22INS2 MolecularWeight: 395.36565

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22NS2.HI/c1-15(11-7-3-2-4-8-11)13-10-6-5-9-12(13)14(16)17-15;/h11H,2-10H2,1H3;1H/q+1;/p-1