2-[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenoxy]ethyl-diethyl-methyl-azanium

Systemtic Name: 2-[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methyl]phenoxy]ethyl-diethyl-methyl-azanium Openeye Name: 2-[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]phenoxy]ethyl-diethyl-methyl-ammonium CAS Name: 2-[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]phenoxy]ethyl-diethyl-methylammonium IUPAC Name: 2-[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methyl]phenoxy]ethyl-diethyl-methylazanium Traditional Name: 2-[4-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methyl]phenoxy]ethyl-diethyl-methyl-ammonium Formula: C21H30N5O3+ MolecularWeight: 400.4946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC)CCOC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CC[N+](C)(CC)CCOC1=CC=C(C=C1)CC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C21H29N5O3/c1-6-26(5,7-2)12-13-29-16-10-8-15(9-11-16)14-17-22-18-19(23-17)24(3)21(28)25(4)20(18)27/h8-11H,6-7,12-14H2,1-5H3/p+1