2-(2-azanylspiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-(4-chlorophenyl)ethanone iodide

Systemtic Name: 2-(2-azanylspiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-(4-chlorophenyl)ethanone iodide Openeye Name: 2-(2-aminospiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-(4-chlorophenyl)ethanone iodide CAS Name: 2-(2-amino-3-spiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]yl)-1-(4-chlorophenyl)ethanone iodide IUPAC Name: 2-(2-aminospiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-(4-chlorophenyl)ethanone iodide Traditional Name: 2-(2-aminospiro[5,7-dihydro-4H-1,3-benzothiazol-3-ium-6,1'-cyclohexane]-3-yl)-1-(4-chlorophenyl)ethanone iodide Formula: C20H24ClIN2OS MolecularWeight: 502.83983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CCC3=C(C2)SC(=[N+]3CC(=O)C4=CC=C(C=C4)Cl)N.[I-]

Isomeric SMILES

C1CCC2(CC1)CCC3=C(C2)SC(=[N+]3CC(=O)C4=CC=C(C=C4)Cl)N.[I-]

InChI

InChI=1S/C20H23ClN2OS.HI/c21-15-6-4-14(5-7-15)17(24)13-23-16-8-11-20(9-2-1-3-10-20)12-18(16)25-19(23)22;/h4-7,22H,1-3,8-13H2;1H