[3-(6-aminopurin-9-yl)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethyl-azanium

Systemtic Name: [3-(6-aminopurin-9-yl)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethyl-azanium Openeye Name: [3-(6-aminopurin-9-yl)-2-(diisopropoxyphosphorylmethoxy)propyl]-trimethyl-ammonium CAS Name: [3-(6-aminopurin-9-yl)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethylammonium IUPAC Name: [3-(6-aminopurin-9-yl)-2-[di(propan-2-yloxy)phosphorylmethoxy]propyl]-trimethylazanium Traditional Name: [3-adenin-9-yl-2-(diisopropoxyphosphorylmethoxy)propyl]-trimethyl-ammonium Formula: C18H34N6O4P+ MolecularWeight: 429.474121

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OP(=O)(COC(CN1C=NC2=C1N=CN=C2N)C[N+](C)(C)C)OC(C)C

Isomeric SMILES

CC(C)OP(=O)(COC(CN1C=NC2=C1N=CN=C2N)C[N+](C)(C)C)OC(C)C

InChI

InChI=1S/C18H34N6O4P/c1-13(2)27-29(25,28-14(3)4)12-26-15(9-24(5,6)7)8-23-11-22-16-17(19)20-10-21-18(16)23/h10-11,13-15H,8-9,12H2,1-7H3,(H2,19,20,21)/q+1