1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 2-phenylethanoate; iodide

Systemtic Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 2-phenylethanoate; iodide Openeye Name: 1-methylquinuclidin-1-ium-3-ol; 2-phenylacetate; iodide CAS Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 2-phenylacetate; iodide IUPAC Name: 1-methyl-1-azoniabicyclo[2.2.2]octan-3-ol; 2-phenylacetate; iodide Traditional Name: 1-methylquinuclidin-1-ium-3-ol; 2-phenylacetate; iodide Formula: C24H30INO5-2 MolecularWeight: 539.40317

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)O.C1=CC=C(C=C1)CC(=O)[O-].C1=CC=C(C=C1)CC(=O)[O-].[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)O.C1=CC=C(C=C1)CC(=O)[O-].C1=CC=C(C=C1)CC(=O)[O-].[I-]

InChI

InChI=1S/C8H16NO.2C8H8O2.HI/c1-9-4-2-7(3-5-9)8(10)6-9;2*9-8(10)6-7-4-2-1-3-5-7;/h7-8,10H,2-6H2,1H3;2*1-5H,6H2,(H,9,10);1H/q+1;;;/p-3