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

Systemtic Name: pentan-3-yl-[[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-(1-ethylpropyl)ammonium diiodide CAS Name: (4-benzoyloxy-1,1,3,6-tetramethyl-4-phenyl-3-piperidin-1-iumyl)methyl-pentan-3-ylammonium diiodide IUPAC Name: (4-benzoyloxy-1,1,3,6-tetramethyl-4-phenylpiperidin-1-ium-3-yl)methyl-pentan-3-ylazanium diiodide Traditional Name: (4-benzoyloxy-1,1,3,6-tetramethyl-4-phenyl-piperidin-1-ium-3-yl)methyl-(1-ethylpropyl)ammonium diiodide Formula: C28H42I2N2O2 MolecularWeight: 692.45422

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1(C[N+](C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)(C)C)C.[I-].[I-]

Isomeric SMILES

CCC(CC)[NH2+]CC1(C[N+](C(CC1(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)C)(C)C)C.[I-].[I-]

InChI

InChI=1S/C28H41N2O2.2HI/c1-7-25(8-2)29-20-27(4)21-30(5,6)22(3)19-28(27,24-17-13-10-14-18-24)32-26(31)23-15-11-9-12-16-23;;/h9-18,22,25,29H,7-8,19-21H2,1-6H3;2*1H/q+1;;/p-1