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

Systemtic Name: trimethyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxy-piperidin-1-ium-3-yl)methyl]azanium diiodide Openeye Name: trimethyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxy-piperidin-1-ium-3-yl)methyl]ammonium diiodide CAS Name: trimethyl-[[1,1,3,6-tetramethyl-4-(1-oxopropoxy)-4-phenyl-3-piperidin-1-iumyl]methyl]ammonium diiodide IUPAC Name: trimethyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxypiperidin-1-ium-3-yl)methyl]azanium diiodide Traditional Name: trimethyl-[(1,1,3,6-tetramethyl-4-phenyl-4-propionyloxy-piperidin-1-ium-3-yl)methyl]ammonium diiodide Formula: C22H38I2N2O2 MolecularWeight: 616.35826

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC([N+](CC1(C)C[N+](C)(C)C)(C)C)C)C2=CC=CC=C2.[I-].[I-]

Isomeric SMILES

CCC(=O)OC1(CC([N+](CC1(C)C[N+](C)(C)C)(C)C)C)C2=CC=CC=C2.[I-].[I-]

InChI

InChI=1S/C22H38N2O2.2HI/c1-9-20(25)26-22(19-13-11-10-12-14-19)15-18(2)24(7,8)17-21(22,3)16-23(4,5)6;;/h10-14,18H,9,15-17H2,1-8H3;2*1H/q+2;;/p-2