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

Systemtic Name: 3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile Openeye Name: 3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propanenitrile CAS Name: 3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile IUPAC Name: 3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenylpropanenitrile Traditional Name: 3-[8-(cyclopropylmethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl]-2,2-diphenyl-propionitrile Formula: C27H33N2+ MolecularWeight: 385.56432

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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)CC5CC5

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)CC5CC5

InChI

InChI=1S/C27H33N2/c1-29(19-21-12-13-21)25-14-15-26(29)17-22(16-25)18-27(20-28,23-8-4-2-5-9-23)24-10-6-3-7-11-24/h2-11,21-22,25-26H,12-19H2,1H3/q+1