2-cyclohexyl-3-[3-methyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octan-8-yl]-2-phenyl-propanenitrile iodide

Systemtic Name: 2-cyclohexyl-3-[3-methyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octan-8-yl]-2-phenyl-propanenitrile iodide Openeye Name: 3-(3-benzyl-3-methyl-3-azoniabicyclo[3.2.1]octan-8-yl)-2-cyclohexyl-2-phenyl-propanenitrile iodide CAS Name: 2-cyclohexyl-3-[3-methyl-3-(phenylmethyl)-3-azoniabicyclo[3.2.1]octan-8-yl]-2-phenylpropanenitrile iodide IUPAC Name: 3-(3-benzyl-3-methyl-3-azoniabicyclo[3.2.1]octan-8-yl)-2-cyclohexyl-2-phenylpropanenitrile iodide Traditional Name: 3-(3-benzyl-3-methyl-3-azoniabicyclo[3.2.1]octan-8-yl)-2-cyclohexyl-2-phenyl-propionitrile iodide Formula: C30H39IN2 MolecularWeight: 554.54853

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC(C1)C2CC(C#N)(C3CCCCC3)C4=CC=CC=C4)CC5=CC=CC=C5.[I-]

Isomeric SMILES

C[N+]1(CC2CCC(C1)C2CC(C#N)(C3CCCCC3)C4=CC=CC=C4)CC5=CC=CC=C5.[I-]

InChI

InChI=1S/C30H39N2.HI/c1-32(20-24-11-5-2-6-12-24)21-25-17-18-26(22-32)29(25)19-30(23-31,27-13-7-3-8-14-27)28-15-9-4-10-16-28;/h2-3,5-8,11-14,25-26,28-29H,4,9-10,15-22H2,1H3;1H/q+1;/p-1