3-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-dithiophen-2-yl-propanenitrile

Systemtic Name: 3-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-dithiophen-2-yl-propanenitrile Openeye Name: 3-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-bis(2-thienyl)propanenitrile CAS Name: 3-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-dithiophen-2-ylpropanenitrile IUPAC Name: 3-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-dithiophen-2-ylpropanenitrile Traditional Name: 3-(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)-2,2-bis(2-thienyl)propionitrile Formula: C20H25N2S2+ MolecularWeight: 357.5559

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CS3)C4=CC=CS4)C

Isomeric SMILES

C[N+]1(C2CCC1CC(C2)CC(C#N)(C3=CC=CS3)C4=CC=CS4)C

InChI

InChI=1S/C20H25N2S2/c1-22(2)16-7-8-17(22)12-15(11-16)13-20(14-21,18-5-3-9-23-18)19-6-4-10-24-19/h3-6,9-10,15-17H,7-8,11-13H2,1-2H3/q+1