2-cyclohexyl-5-ethyl-thieno[3,2-d][1,2]thiazol-2-ium bromide

Systemtic Name: 2-cyclohexyl-5-ethyl-thieno[3,2-d][1,2]thiazol-2-ium bromide Openeye Name: 2-cyclohexyl-5-ethyl-thieno[3,2-d]isothiazol-2-ium bromide CAS Name: 2-cyclohexyl-5-ethylthieno[3,2-d]isothiazol-2-ium bromide IUPAC Name: 2-cyclohexyl-5-ethylthieno[3,2-d][1,2]thiazol-2-ium bromide Traditional Name: 2-cyclohexyl-5-ethyl-thien[3,2-d]isothiazol-2-ium bromide Formula: C13H18BrNS2 MolecularWeight: 332.32272

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)S[N+](=C2)C3CCCCC3.[Br-]

Isomeric SMILES

CCC1=CC2=C(S1)S[N+](=C2)C3CCCCC3.[Br-]

InChI

InChI=1S/C13H18NS2.BrH/c1-2-12-8-10-9-14(16-13(10)15-12)11-6-4-3-5-7-11;/h8-9,11H,2-7H2,1H3;1H/q+1;/p-1