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

Systemtic Name: 3-(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile bromide Openeye Name: 3-(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propanenitrile bromide CAS Name: 3-(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile bromide IUPAC Name: 3-(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenylpropanenitrile bromide Traditional Name: 3-(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-diphenyl-propionitrile bromide Formula: C26H33BrN2 MolecularWeight: 453.45762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N2.BrH/c1-3-16-28(2)24-14-15-25(28)18-21(17-24)19-26(20-27,22-10-6-4-7-11-22)23-12-8-5-9-13-23;/h4-13,21,24-25H,3,14-19H2,1-2H3;1H/q+1;/p-1