1-[1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide

Systemtic Name: 1-[1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Openeye Name: 1-[1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide CAS Name: 1-[1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide IUPAC Name: 1-[1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Traditional Name: 1-[1-(4-bromophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Formula: C16H19BrINS2 MolecularWeight: 496.26723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Br)[N+]2(C3=C(CCCC3)C(=S)S2)C.[I-]

Isomeric SMILES

CC(C1=CC=C(C=C1)Br)[N+]2(C3=C(CCCC3)C(=S)S2)C.[I-]

InChI

InChI=1S/C16H19BrNS2.HI/c1-11(12-7-9-13(17)10-8-12)18(2)15-6-4-3-5-14(15)16(19)20-18;/h7-11H,3-6H2,1-2H3;1H/q+1;/p-1