1-[(4-methylphenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-imine

Systemtic Name: 1-[(4-methylphenyl)methyl]-N-pyridin-1-ium-1-yl-pyrimidin-2-imine Openeye Name: 1-(p-tolylmethyl)-N-pyridin-1-ium-1-yl-pyrimidin-2-imine CAS Name: 1-[(4-methylphenyl)methyl]-N-(1-pyridin-1-iumyl)-2-pyrimidinimine IUPAC Name: 1-[(4-methylphenyl)methyl]-N-pyridin-1-ium-1-ylpyrimidin-2-imine Traditional Name: (Z)-[1-(4-methylbenzyl)pyrimidin-2-ylidene]-pyridin-1-ium-1-yl-amine Formula: C17H17N4+ MolecularWeight: 277.34368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C=CC=NC2=N[N+]3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)CN\2C=CC=N/C2=N\[N+]3=CC=CC=C3

InChI

InChI=1S/C17H17N4/c1-15-6-8-16(9-7-15)14-20-11-5-10-18-17(20)19-21-12-3-2-4-13-21/h2-13H,14H2,1H3/q+1/b19-17+