1-methyl-2-methylidene-3-(2-methylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol iodide

Systemtic Name: 1-methyl-2-methylidene-3-(2-methylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol iodide Openeye Name: 1-methyl-2-methylene-3-(o-tolyl)quinuclidin-1-ium-3-ol iodide CAS Name: 1-methyl-2-methylene-3-(2-methylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol iodide IUPAC Name: 1-methyl-2-methylidene-3-(2-methylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol iodide Traditional Name: 1-methyl-2-methylene-3-(o-tolyl)quinuclidin-1-ium-3-ol iodide Formula: C16H22INO MolecularWeight: 371.25645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2(C3CC[N+](C2=C)(CC3)C)O.[I-]

Isomeric SMILES

CC1=CC=CC=C1C2(C3CC[N+](C2=C)(CC3)C)O.[I-]

InChI

InChI=1S/C16H22NO.HI/c1-12-6-4-5-7-15(12)16(18)13(2)17(3)10-8-14(16)9-11-17;/h4-7,14,18H,2,8-11H2,1,3H3;1H/q+1;/p-1