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

Systemtic Name: [3-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-2-oxidanyl-propyl]-trimethyl-azanium chloride Openeye Name: [3-[6-[(E)-dimethylaminomethyleneamino]purin-9-yl]-2-hydroxy-propyl]-trimethyl-ammonium chloride CAS Name: [3-[6-[(E)-dimethylaminomethylideneamino]-9-purinyl]-2-hydroxypropyl]-trimethylammonium chloride IUPAC Name: [3-[6-[(E)-dimethylaminomethylideneamino]purin-9-yl]-2-hydroxypropyl]-trimethylazanium chloride Traditional Name: [3-[6-[(E)-dimethylaminomethyleneamino]purin-9-yl]-2-hydroxy-propyl]-trimethyl-ammonium chloride Formula: C14H24ClN7O MolecularWeight: 341.83966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N7O.ClH/c1-19(2)9-18-13-12-14(16-8-15-13)20(10-17-12)6-11(22)7-21(3,4)5;/h8-11,22H,6-7H2,1-5H3;1H/q+1;/p-1/b18-9+;