diphenyl-(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide

Systemtic Name: diphenyl-(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide Openeye Name: (1-isopropylquinuclidin-1-ium-3-yl)-diphenyl-methanol iodide CAS Name: diphenyl-(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide IUPAC Name: diphenyl-(1-propan-2-yl-1-azoniabicyclo[2.2.2]octan-3-yl)methanol iodide Traditional Name: (1-isopropylquinuclidin-1-ium-3-yl)-diphenyl-methanol iodide Formula: C23H30INO MolecularWeight: 463.39487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30NO.HI/c1-18(2)24-15-13-19(14-16-24)22(17-24)23(25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,18-19,22,25H,13-17H2,1-2H3;1H/q+1;/p-1