2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-dimethyl-(phenylmethyl)azanium

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl-dimethyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]-dimethyl-ammonium CAS Name: 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl-dimethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-dimethylazanium Traditional Name: benzyl-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]-dimethyl-ammonium Formula: C18H24N5O2+ MolecularWeight: 342.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+](C)(C)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC[N+](C)(C)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N5O2/c1-20-16-15(17(24)21(2)18(20)25)22(13-19-16)10-11-23(3,4)12-14-8-6-5-7-9-14/h5-9,13H,10-12H2,1-4H3/q+1