6-methyl-2-(4-methylphenyl)-3-(pyridin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium

Systemtic Name: 6-methyl-2-(4-methylphenyl)-3-(pyridin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium Openeye Name: 6-methyl-2-(p-tolyl)-3-(pyridin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium CAS Name: 6-methyl-2-(4-methylphenyl)-3-(1-pyridin-1-iumylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium IUPAC Name: 6-methyl-2-(4-methylphenyl)-3-(pyridin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium Traditional Name: 6-methyl-2-(p-tolyl)-3-(pyridin-1-ium-1-ylmethyl)-1H-imidazo[1,2-a]pyridin-4-ium Formula: C21H21N3+2 MolecularWeight: 315.41154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C([N+]3=C(N2)C=CC(=C3)C)C[N+]4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([N+]3=C(N2)C=CC(=C3)C)C[N+]4=CC=CC=C4

InChI

InChI=1S/C21H20N3/c1-16-6-9-18(10-7-16)21-19(15-23-12-4-3-5-13-23)24-14-17(2)8-11-20(24)22-21/h3-14H,15H2,1-2H3/q+1/p+1