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

Systemtic Name: 3-[8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile Openeye Name: 3-(8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile CAS Name: 3-[8-methyl-8-(phenylmethyl)-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile IUPAC Name: 3-(8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile Traditional Name: 3-(8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propionitrile Formula: C30H33N2+ MolecularWeight: 421.59642

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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)CC5=CC=CC=C5

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C30H33N2/c1-32(22-24-11-5-2-6-12-24)28-17-18-29(32)20-25(19-28)21-30(23-31,26-13-7-3-8-14-26)27-15-9-4-10-16-27/h2-16,25,28-29H,17-22H2,1H3/q+1