2-methyl-1-(3-phenylpropyl)pyridin-1-ium bromide

Systemtic Name: 2-methyl-1-(3-phenylpropyl)pyridin-1-ium bromide Openeye Name: 2-methyl-1-(3-phenylpropyl)pyridin-1-ium bromide CAS Name: 2-methyl-1-(3-phenylpropyl)pyridin-1-ium bromide IUPAC Name: 2-methyl-1-(3-phenylpropyl)pyridin-1-ium bromide Traditional Name: 2-methyl-1-(3-phenylpropyl)pyridin-1-ium bromide Formula: C15H18BrN MolecularWeight: 292.21412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CCCC2=CC=CC=C2.[Br-]

Isomeric SMILES

CC1=CC=CC=[N+]1CCCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H18N.BrH/c1-14-8-5-6-12-16(14)13-7-11-15-9-3-2-4-10-15;/h2-6,8-10,12H,7,11,13H2,1H3;1H/q+1;/p-1