3-ethynyl-2-phenyl-1-prop-2-ynyl-pyridin-1-ium

Systemtic Name: 3-ethynyl-2-phenyl-1-prop-2-ynyl-pyridin-1-ium Openeye Name: 3-ethynyl-2-phenyl-1-prop-2-ynyl-pyridin-1-ium CAS Name: 3-ethynyl-2-phenyl-1-prop-2-ynylpyridin-1-ium IUPAC Name: 3-ethynyl-2-phenyl-1-prop-2-ynylpyridin-1-ium Traditional Name: 3-ethynyl-2-phenyl-1-propargyl-pyridin-1-ium Formula: C16H12N+ MolecularWeight: 218.27318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=CC=CC(=C1C2=CC=CC=C2)C#C

Isomeric SMILES

C#CC[N+]1=CC=CC(=C1C2=CC=CC=C2)C#C

InChI

InChI=1S/C16H12N/c1-3-12-17-13-8-11-14(4-2)16(17)15-9-6-5-7-10-15/h1-2,5-11,13H,12H2/q+1