1-methyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane; 2-phenyl-1,2-oxaziridin-2-ium-3-one; iodide

Systemtic Name: 1-methyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane; 2-phenyl-1,2-oxaziridin-2-ium-3-one; iodide Openeye Name: 3-benzyl-1-methyl-quinuclidin-1-ium; 2-phenyloxaziridin-2-ium-3-one; iodide CAS Name: 1-methyl-3-(phenylmethyl)-1-azoniabicyclo[2.2.2]octane; 2-phenyl-3-oxaziridin-2-iumone; iodide IUPAC Name: 3-benzyl-1-methyl-1-azoniabicyclo[2.2.2]octane; 2-phenyloxaziridin-2-ium-3-one; iodide Traditional Name: 3-benzyl-1-methyl-quinuclidin-1-ium; 2-phenyloxaziridin-2-ium-3-one; iodide Formula: C22H28IN2O2+ MolecularWeight: 479.37439

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)CC3=CC=CC=C3.C1=CC=C(C=C1)[NH+]2C(=O)O2.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)CC3=CC=CC=C3.C1=CC=C(C=C1)[NH+]2C(=O)O2.[I-]

InChI

InChI=1S/C15H22N.C7H5NO2.HI/c1-16-9-7-14(8-10-16)15(12-16)11-13-5-3-2-4-6-13;9-7-8(10-7)6-4-2-1-3-5-6;/h2-6,14-15H,7-12H2,1H3;1-5H;1H/q+1;;