3-(3,4-dimethylphenyl)-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octan-3-ol iodide

Systemtic Name: 3-(3,4-dimethylphenyl)-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octan-3-ol iodide Openeye Name: 3-(3,4-dimethylphenyl)-1-methyl-2-methylene-quinuclidin-1-ium-3-ol iodide CAS Name: 3-(3,4-dimethylphenyl)-1-methyl-2-methylene-1-azoniabicyclo[2.2.2]octan-3-ol iodide IUPAC Name: 3-(3,4-dimethylphenyl)-1-methyl-2-methylidene-1-azoniabicyclo[2.2.2]octan-3-ol iodide Traditional Name: 3-(3,4-dimethylphenyl)-1-methyl-2-methylene-quinuclidin-1-ium-3-ol iodide Formula: C17H24INO MolecularWeight: 385.28303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C3CC[N+](C2=C)(CC3)C)O)C.[I-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2(C3CC[N+](C2=C)(CC3)C)O)C.[I-]

InChI

InChI=1S/C17H24NO.HI/c1-12-5-6-16(11-13(12)2)17(19)14(3)18(4)9-7-15(17)8-10-18;/h5-6,11,15,19H,3,7-10H2,1-2,4H3;1H/q+1;/p-1