2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]oxyethyl-dimethyl-azanium

Systemtic Name: 2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-bis(oxidanylidene)purin-8-yl]oxyethyl-dimethyl-azanium Openeye Name: 2-[1,3-dimethyl-7-(1-naphthylmethyl)-2,6-dioxo-purin-8-yl]oxyethyl-dimethyl-ammonium CAS Name: 2-[[1,3-dimethyl-7-(1-naphthalenylmethyl)-2,6-dioxo-8-purinyl]oxy]ethyl-dimethylammonium IUPAC Name: 2-[1,3-dimethyl-7-(naphthalen-1-ylmethyl)-2,6-dioxopurin-8-yl]oxyethyl-dimethylazanium Traditional Name: 2-[2,6-diketo-1,3-dimethyl-7-(1-naphthylmethyl)purin-8-yl]oxyethyl-dimethyl-ammonium Formula: C22H26N5O3+ MolecularWeight: 408.47354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC[NH+](C)C)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OCC[NH+](C)C)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O3/c1-24(2)12-13-30-21-23-19-18(20(28)26(4)22(29)25(19)3)27(21)14-16-10-7-9-15-8-5-6-11-17(15)16/h5-11H,12-14H2,1-4H3/p+1