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

Systemtic Name: methyl-[3-(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxy-piperidin-1-ium-3-yl)pentan-3-yl]azanium diiodide Openeye Name: [1-ethyl-1-(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxy-piperidin-1-ium-3-yl)propyl]-methyl-ammonium diiodide CAS Name: methyl-[3-[1,1,3,6-tetramethyl-4-(1-oxopropoxy)-4-phenyl-3-piperidin-1-iumyl]pentan-3-yl]ammonium diiodide IUPAC Name: methyl-[3-(1,1,3,6-tetramethyl-4-phenyl-4-propanoyloxypiperidin-1-ium-3-yl)pentan-3-yl]azanium diiodide Traditional Name: [1-ethyl-1-(1,1,3,6-tetramethyl-4-phenyl-4-propionyloxy-piperidin-1-ium-3-yl)propyl]-methyl-ammonium diiodide Formula: C24H42I2N2O2 MolecularWeight: 644.41142

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1(CC([N+](CC1(C)C(CC)(CC)[NH2+]C)(C)C)C)C2=CC=CC=C2.[I-].[I-]

Isomeric SMILES

CCC(=O)OC1(CC([N+](CC1(C)C(CC)(CC)[NH2+]C)(C)C)C)C2=CC=CC=C2.[I-].[I-]

InChI

InChI=1S/C24H41N2O2.2HI/c1-9-21(27)28-24(20-15-13-12-14-16-20)17-19(4)26(7,8)18-22(24,5)23(10-2,11-3)25-6;;/h12-16,19,25H,9-11,17-18H2,1-8H3;2*1H/q+1;;/p-1