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

Systemtic Name: 3-[8-methyl-8-(3-phenylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile Openeye Name: 3-[8-methyl-8-(3-phenylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile CAS Name: 3-[8-methyl-8-(3-phenylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile IUPAC Name: 3-[8-methyl-8-(3-phenylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile Traditional Name: 3-[8-methyl-8-(3-phenylpropyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propionitrile Formula: C32H37N2+ MolecularWeight: 449.64958

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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)CCCC5=CC=CC=C5

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CCCC5=CC=CC=C5

InChI

InChI=1S/C32H37N2/c1-34(21-11-14-26-12-5-2-6-13-26)30-19-20-31(34)23-27(22-30)24-32(25-33,28-15-7-3-8-16-28)29-17-9-4-10-18-29/h2-10,12-13,15-18,27,30-31H,11,14,19-24H2,1H3/q+1