[3-(2-azanyl-6-phenylmethoxy-purin-7-yl)-2-oxidanyl-propyl]-trimethyl-azanium

Systemtic Name: [3-(2-azanyl-6-phenylmethoxy-purin-7-yl)-2-oxidanyl-propyl]-trimethyl-azanium Openeye Name: [3-(2-amino-6-benzyloxy-purin-7-yl)-2-hydroxy-propyl]-trimethyl-ammonium CAS Name: [3-(2-amino-6-phenylmethoxy-7-purinyl)-2-hydroxypropyl]-trimethylammonium IUPAC Name: [3-(2-amino-6-phenylmethoxypurin-7-yl)-2-hydroxypropyl]-trimethylazanium Traditional Name: [3-(2-amino-6-benzoxy-purin-7-yl)-2-hydroxy-propyl]-trimethyl-ammonium Formula: C18H25N6O2+ MolecularWeight: 357.4301

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CN1C=NC2=C1C(=NC(=N2)N)OCC3=CC=CC=C3)O

Isomeric SMILES

C[N+](C)(C)CC(CN1C=NC2=C1C(=NC(=N2)N)OCC3=CC=CC=C3)O

InChI

InChI=1S/C18H25N6O2/c1-24(2,3)10-14(25)9-23-12-20-16-15(23)17(22-18(19)21-16)26-11-13-7-5-4-6-8-13/h4-8,12,14,25H,9-11H2,1-3H3,(H2,19,21,22)/q+1