[3-(6-aminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-azanium

Systemtic Name: [3-(6-aminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-azanium Openeye Name: [3-(6-aminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethyl-ammonium CAS Name: [3-(6-aminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethylammonium IUPAC Name: [3-(6-aminopurin-9-yl)-2-(phosphonomethoxy)propyl]-trimethylazanium Traditional Name: [3-adenin-9-yl-2-(phosphonomethoxy)propyl]-trimethyl-ammonium Formula: C12H22N6O4P+ MolecularWeight: 345.314641

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

Isomeric SMILES

C[N+](C)(C)CC(CN1C=NC2=C1N=CN=C2N)OCP(=O)(O)O

InChI

InChI=1S/C12H21N6O4P/c1-18(2,3)5-9(22-8-23(19,20)21)4-17-7-16-10-11(13)14-6-15-12(10)17/h6-7,9H,4-5,8H2,1-3H3,(H3-,13,14,15,19,20,21)/p+1