5-[2-[4-(phenylmethyl)phenoxy]ethyl]-3H-imidazo[4,5-c]pyridin-5-ium

Systemtic Name: 5-[2-[4-(phenylmethyl)phenoxy]ethyl]-3H-imidazo[4,5-c]pyridin-5-ium Openeye Name: 5-[2-(4-benzylphenoxy)ethyl]-3H-imidazo[4,5-c]pyridin-5-ium CAS Name: 5-[2-[4-(phenylmethyl)phenoxy]ethyl]-3H-imidazo[4,5-c]pyridin-5-ium IUPAC Name: 5-[2-(4-benzylphenoxy)ethyl]-3H-imidazo[4,5-c]pyridin-5-ium Traditional Name: 5-[2-(4-benzylphenoxy)ethyl]-3H-imidazo[4,5-c]pyridin-5-ium Formula: C21H20N3O+ MolecularWeight: 330.403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC[N+]3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)OCC[N+]3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H19N3O/c1-2-4-17(5-3-1)14-18-6-8-19(9-7-18)25-13-12-24-11-10-20-21(15-24)23-16-22-20/h1-11,15-16H,12-14H2/p+1