4-[3-(2-cyano-2,2-diphenyl-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]butanenitrile

Systemtic Name: 4-[3-(2-cyano-2,2-diphenyl-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]butanenitrile Openeye Name: 4-[3-(2-cyano-2,2-diphenyl-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]butanenitrile CAS Name: 4-[3-(2-cyano-2,2-diphenylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]butanenitrile IUPAC Name: 4-[3-(2-cyano-2,2-diphenylethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]butanenitrile Traditional Name: 4-[3-(2-cyano-2,2-diphenyl-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-8-yl]butyronitrile Formula: C27H32N3+ MolecularWeight: 398.56308

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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)CCCC#N

Isomeric SMILES

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

InChI

InChI=1S/C27H32N3/c1-30(17-9-8-16-28)25-14-15-26(30)19-22(18-25)20-27(21-29,23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-7,10-13,22,25-26H,8-9,14-15,17-20H2,1H3/q+1