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

Systemtic Name: trimethyl-[[1,1,3,6-tetramethyl-4-phenyl-4-(phenylcarbonyloxy)piperidin-1-ium-3-yl]methyl]azanium diiodide Openeye Name: (4-benzoyloxy-1,1,3,6-tetramethyl-4-phenyl-piperidin-1-ium-3-yl)methyl-trimethyl-ammonium diiodide CAS Name: (4-benzoyloxy-1,1,3,6-tetramethyl-4-phenyl-3-piperidin-1-iumyl)methyl-trimethylammonium diiodide IUPAC Name: (4-benzoyloxy-1,1,3,6-tetramethyl-4-phenylpiperidin-1-ium-3-yl)methyl-trimethylazanium diiodide Traditional Name: (4-benzoyloxy-1,1,3,6-tetramethyl-4-phenyl-piperidin-1-ium-3-yl)methyl-trimethyl-ammonium diiodide Formula: C26H38I2N2O2 MolecularWeight: 664.40106

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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)C3=CC=CC=C3.[I-].[I-]

Isomeric SMILES

CC1CC(C(C[N+]1(C)C)(C)C[N+](C)(C)C)(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3.[I-].[I-]

InChI

InChI=1S/C26H38N2O2.2HI/c1-21-18-26(23-16-12-9-13-17-23,30-24(29)22-14-10-8-11-15-22)25(2,19-27(3,4)5)20-28(21,6)7;;/h8-17,21H,18-20H2,1-7H3;2*1H/q+2;;/p-2