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

Systemtic Name: 3-(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile bromide Openeye Name: 3-(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile bromide CAS Name: 3-(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile bromide IUPAC Name: 3-(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile bromide Traditional Name: 3-(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propionitrile bromide Formula: C25H31BrN2 MolecularWeight: 439.43104

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

Isomeric SMILES

CC[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)C.[Br-]

InChI

InChI=1S/C25H31N2.BrH/c1-3-27(2)23-14-15-24(27)17-20(16-23)18-25(19-26,21-10-6-4-7-11-21)22-12-8-5-9-13-22;/h4-13,20,23-24H,3,14-18H2,1-2H3;1H/q+1;/p-1