[3-(2-azanyl-6-phenylmethoxy-purin-9-yl)-2-oxidanyl-propyl]-trimethyl-azanium chloride

Systemtic Name: [3-(2-azanyl-6-phenylmethoxy-purin-9-yl)-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [3-(2-amino-6-benzyloxy-purin-9-yl)-2-hydroxy-propyl]-trimethyl-ammonium chloride CAS Name: [3-(2-amino-6-phenylmethoxy-9-purinyl)-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-(2-amino-6-phenylmethoxypurin-9-yl)-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [3-(2-amino-6-benzoxy-purin-9-yl)-2-hydroxy-propyl]-trimethyl-ammonium chloride Formula: C18H25ClN6O2 MolecularWeight: 392.8831

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CC(CN1C=NC2=C1N=C(N=C2OCC3=CC=CC=C3)N)O.[Cl-]

InChI

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