(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-phenyl-thiophen-2-yl-methanol iodide

Systemtic Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-phenyl-thiophen-2-yl-methanol iodide Openeye Name: (1-methylquinuclidin-1-ium-3-yl)-phenyl-(2-thienyl)methanol iodide CAS Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-phenyl-thiophen-2-ylmethanol iodide IUPAC Name: (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-phenyl-thiophen-2-ylmethanol iodide Traditional Name: (1-methylquinuclidin-1-ium-3-yl)-phenyl-(2-thienyl)methanol iodide Formula: C19H24INOS MolecularWeight: 441.36943

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CS4)O.[I-]

Isomeric SMILES

C[N+]12CCC(CC1)C(C2)C(C3=CC=CC=C3)(C4=CC=CS4)O.[I-]

InChI

InChI=1S/C19H24NOS.HI/c1-20-11-9-15(10-12-20)17(14-20)19(21,18-8-5-13-22-18)16-6-3-2-4-7-16;/h2-8,13,15,17,21H,9-12,14H2,1H3;1H/q+1;/p-1