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

Systemtic Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Openeye Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide CAS Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide IUPAC Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Traditional Name: 1-methyl-1-phenethyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Formula: C16H20INS2 MolecularWeight: 417.37117

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2=C(CCCC2)C(=S)S1)CCC3=CC=CC=C3.[I-]

Isomeric SMILES

C[N+]1(C2=C(CCCC2)C(=S)S1)CCC3=CC=CC=C3.[I-]

InChI

InChI=1S/C16H20NS2.HI/c1-17(12-11-13-7-3-2-4-8-13)15-10-6-5-9-14(15)16(18)19-17;/h2-4,7-8H,5-6,9-12H2,1H3;1H/q+1;/p-1