2-ethyl-1-(1-phenylpropyl)pyridin-1-ium bromide

Systemtic Name: 2-ethyl-1-(1-phenylpropyl)pyridin-1-ium bromide Openeye Name: 2-ethyl-1-(1-phenylpropyl)pyridin-1-ium bromide CAS Name: 2-ethyl-1-(1-phenylpropyl)pyridin-1-ium bromide IUPAC Name: 2-ethyl-1-(1-phenylpropyl)pyridin-1-ium bromide Traditional Name: 2-ethyl-1-(1-phenylpropyl)pyridin-1-ium bromide Formula: C16H20BrN MolecularWeight: 306.2407

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=[N+]1C(CC)C2=CC=CC=C2.[Br-]

Isomeric SMILES

CCC1=CC=CC=[N+]1C(CC)C2=CC=CC=C2.[Br-]

InChI

InChI=1S/C16H20N.BrH/c1-3-15-12-8-9-13-17(15)16(4-2)14-10-6-5-7-11-14;/h5-13,16H,3-4H2,1-2H3;1H/q+1;/p-1