3-[8-(2-cyclohexylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile

Systemtic Name: 3-[8-(2-cyclohexylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile Openeye Name: 3-[8-(2-cyclohexylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile CAS Name: 3-[8-(2-cyclohexylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile IUPAC Name: 3-[8-(2-cyclohexylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile Traditional Name: 3-[8-(2-cyclohexylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propionitrile Formula: C31H41N2+ MolecularWeight: 441.67064

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCC5CCCCC5

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCC5CCCCC5

InChI

InChI=1S/C31H41N2/c1-33(20-19-25-11-5-2-6-12-25)29-17-18-30(33)22-26(21-29)23-31(24-32,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h3-4,7-10,13-16,25-26,29-30H,2,5-6,11-12,17-23H2,1H3/q+1