(4-acetyloxy-1,1,3,6-tetramethyl-4-phenyl-piperidin-1-ium-3-yl)methyl-trimethyl-azanium diiodide

Systemtic Name: (4-acetyloxy-1,1,3,6-tetramethyl-4-phenyl-piperidin-1-ium-3-yl)methyl-trimethyl-azanium diiodide Openeye Name: (4-acetoxy-1,1,3,6-tetramethyl-4-phenyl-piperidin-1-ium-3-yl)methyl-trimethyl-ammonium diiodide CAS Name: (4-acetyloxy-1,1,3,6-tetramethyl-4-phenyl-3-piperidin-1-iumyl)methyl-trimethylammonium diiodide IUPAC Name: (4-acetyloxy-1,1,3,6-tetramethyl-4-phenylpiperidin-1-ium-3-yl)methyl-trimethylazanium diiodide Traditional Name: (4-acetoxy-1,1,3,6-tetramethyl-4-phenyl-piperidin-1-ium-3-yl)methyl-trimethyl-ammonium diiodide Formula: C21H36I2N2O2 MolecularWeight: 602.33168

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(C[N+]1(C)C)(C)C[N+](C)(C)C)(C2=CC=CC=C2)OC(=O)C.[I-].[I-]

Isomeric SMILES

CC1CC(C(C[N+]1(C)C)(C)C[N+](C)(C)C)(C2=CC=CC=C2)OC(=O)C.[I-].[I-]

InChI

InChI=1S/C21H36N2O2.2HI/c1-17-14-21(25-18(2)24,19-12-10-9-11-13-19)20(3,15-22(4,5)6)16-23(17,7)8;;/h9-13,17H,14-16H2,1-8H3;2*1H/q+2;;/p-2