2-phenethyl-1-prop-2-ynyl-pyridin-1-ium

Systemtic Name: 2-phenethyl-1-prop-2-ynyl-pyridin-1-ium Openeye Name: 2-phenethyl-1-prop-2-ynyl-pyridin-1-ium CAS Name: 2-phenethyl-1-prop-2-ynylpyridin-1-ium IUPAC Name: 2-phenethyl-1-prop-2-ynylpyridin-1-ium Traditional Name: 2-phenethyl-1-propargyl-pyridin-1-ium Formula: C16H16N+ MolecularWeight: 222.30494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CC[N+]1=CC=CC=C1CCC2=CC=CC=C2

Isomeric SMILES

C#CC[N+]1=CC=CC=C1CCC2=CC=CC=C2

InChI

InChI=1S/C16H16N/c1-2-13-17-14-7-6-10-16(17)12-11-15-8-4-3-5-9-15/h1,3-10,14H,11-13H2/q+1