1-methyl-3-(2-phenylethynyl)-1-azoniabicyclo[2.2.2]oct-2-ene

Systemtic Name: 1-methyl-3-(2-phenylethynyl)-1-azoniabicyclo[2.2.2]oct-2-ene Openeye Name: 1-methyl-3-(2-phenylethynyl)-1-azoniabicyclo[2.2.2]oct-2-ene CAS Name: 1-methyl-3-(2-phenylethynyl)-1-azoniabicyclo[2.2.2]oct-2-ene IUPAC Name: 1-methyl-3-(2-phenylethynyl)-1-azoniabicyclo[2.2.2]oct-2-ene Traditional Name: 1-methyl-3-(2-phenylethynyl)-1-azoniabicyclo[2.2.2]oct-2-ene Formula: C16H18N+ MolecularWeight: 224.32082

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]12CCC(CC1)C(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

C[N+]12CCC(CC1)C(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C16H18N/c1-17-11-9-15(10-12-17)16(13-17)8-7-14-5-3-2-4-6-14/h2-6,13,15H,9-12H2,1H3/q+1