2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-dithiophen-2-yl-ethanenitrile

Systemtic Name: 2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-dithiophen-2-yl-ethanenitrile Openeye Name: 2-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]-2,2-bis(2-thienyl)acetonitrile CAS Name: 2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-dithiophen-2-ylacetonitrile IUPAC Name: 2-[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl]-2,2-dithiophen-2-ylacetonitrile Traditional Name: 2-[1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl]-2,2-bis(2-thienyl)acetonitrile Formula: C26H29N2OS2+ MolecularWeight: 449.65126

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1(CC2)C(C#N)(C3=CC=CS3)C4=CC=CS4)CCCOC5=CC=CC=C5

Isomeric SMILES

C1C[N+]2(CCC1(CC2)C(C#N)(C3=CC=CS3)C4=CC=CS4)CCCOC5=CC=CC=C5

InChI

InChI=1S/C26H29N2OS2/c27-21-26(23-9-4-19-30-23,24-10-5-20-31-24)25-11-15-28(16-12-25,17-13-25)14-6-18-29-22-7-2-1-3-8-22/h1-5,7-10,19-20H,6,11-18H2/q+1