1-methyl-1-(1-phenylethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide

Systemtic Name: 1-methyl-1-(1-phenylethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Openeye Name: 1-methyl-1-(1-phenylethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide CAS Name: 1-methyl-1-(1-phenylethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide IUPAC Name: 1-methyl-1-(1-phenylethyl)-4,5,6,7-tetrahydro-2,1-benzothiazol-1-ium-3-thione iodide Traditional Name: 1-methyl-1-(1-phenylethyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20NS2.HI/c1-12(13-8-4-3-5-9-13)17(2)15-11-7-6-10-14(15)16(18)19-17;/h3-5,8-9,12H,6-7,10-11H2,1-2H3;1H/q+1;/p-1