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

Systemtic Name: 1-methyl-2-methylidene-3-(3-methylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol iodide Openeye Name: 1-methyl-2-methylene-3-(m-tolyl)quinuclidin-1-ium-3-ol iodide CAS Name: 1-methyl-2-methylene-3-(3-methylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol iodide IUPAC Name: 1-methyl-2-methylidene-3-(3-methylphenyl)-1-azoniabicyclo[2.2.2]octan-3-ol iodide Traditional Name: 1-methyl-2-methylene-3-(m-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(=C1)C2(C3CC[N+](C2=C)(CC3)C)O.[I-]

Isomeric SMILES

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

InChI

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