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

Systemtic Name: 1-methyl-1-prop-2-enyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Openeye Name: 1-allyl-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide CAS Name: 1-methyl-1-prop-2-enyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide IUPAC Name: 1-methyl-1-prop-2-enyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Traditional Name: 1-allyl-1-methyl-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Formula: C11H16INS2 MolecularWeight: 353.28591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16NS2.HI/c1-3-8-12(2)10-7-5-4-6-9(10)11(13)14-12;/h3H,1,4-8H2,2H3;1H/q+1;/p-1