8,8-dimethyl-3-[6-(2-phenylethynyl)pyridazin-3-yl]-3-aza-8-azoniabicyclo[3.2.1]octane

Systemtic Name: 8,8-dimethyl-3-[6-(2-phenylethynyl)pyridazin-3-yl]-3-aza-8-azoniabicyclo[3.2.1]octane Openeye Name: 8,8-dimethyl-3-[6-(2-phenylethynyl)pyridazin-3-yl]-3-aza-8-azoniabicyclo[3.2.1]octane CAS Name: 8,8-dimethyl-3-[6-(2-phenylethynyl)-3-pyridazinyl]-3-aza-8-azoniabicyclo[3.2.1]octane IUPAC Name: 8,8-dimethyl-3-[6-(2-phenylethynyl)pyridazin-3-yl]-3-aza-8-azoniabicyclo[3.2.1]octane Traditional Name: 8,8-dimethyl-3-[6-(2-phenylethynyl)pyridazin-3-yl]-3-aza-8-azoniabicyclo[3.2.1]octane Formula: C20H23N4+ MolecularWeight: 319.42342

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CN(C2)C3=NN=C(C=C3)C#CC4=CC=CC=C4)C

Isomeric SMILES

C[N+]1(C2CCC1CN(C2)C3=NN=C(C=C3)C#CC4=CC=CC=C4)C

InChI

InChI=1S/C20H23N4/c1-24(2)18-11-12-19(24)15-23(14-18)20-13-10-17(21-22-20)9-8-16-6-4-3-5-7-16/h3-7,10,13,18-19H,11-12,14-15H2,1-2H3/q+1