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

Systemtic Name: [3-[2-azanyl-6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [3-[2-amino-6-[(E)-dimethylaminomethyleneamino]purin-9-yl]-2-hydroxy-propyl]-trimethyl-ammonium chloride CAS Name: [3-[2-amino-6-[(E)-dimethylaminomethylideneamino]-9-purinyl]-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-[2-amino-6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [3-[2-amino-6-[(E)-dimethylaminomethyleneamino]purin-9-yl]-2-hydroxy-propyl]-trimethyl-ammonium chloride Formula: C14H25ClN8O MolecularWeight: 356.8543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C=NC1=C2C(=NC(=N1)N)N(C=N2)CC(C[N+](C)(C)C)O.[Cl-]

Isomeric SMILES

CN(C)/C=N/C1=C2C(=NC(=N1)N)N(C=N2)CC(C[N+](C)(C)C)O.[Cl-]

InChI

InChI=1S/C14H25N8O.ClH/c1-20(2)8-17-12-11-13(19-14(15)18-12)21(9-16-11)6-10(23)7-22(3,4)5;/h8-10,23H,6-7H2,1-5H3,(H2,15,18,19);1H/q+1;/p-1/b17-8+;