3-(9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl)-2,2-diphenyl-propanenitrile iodide

Systemtic Name: 3-(9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl)-2,2-diphenyl-propanenitrile iodide Openeye Name: 3-(9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl)-2,2-diphenyl-propanenitrile iodide CAS Name: 3-(9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl)-2,2-diphenylpropanenitrile iodide IUPAC Name: 3-(9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl)-2,2-diphenylpropanenitrile iodide Traditional Name: 3-(9,9-dimethyl-3-oxa-9-azoniabicyclo[3.3.1]nonan-7-yl)-2,2-diphenyl-propionitrile iodide Formula: C24H29IN2O MolecularWeight: 488.40433

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CC(CC1COC2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

C[N+]1(C2CC(CC1COC2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C24H29N2O.HI/c1-26(2)22-13-19(14-23(26)17-27-16-22)15-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,19,22-23H,13-17H2,1-2H3;1H/q+1;/p-1