3,7-dimethyl-7-(10-oxidanyldecyl)purin-7-ium-2,6-dione

Systemtic Name: 3,7-dimethyl-7-(10-oxidanyldecyl)purin-7-ium-2,6-dione Openeye Name: 7-(10-hydroxydecyl)-3,7-dimethyl-purin-7-ium-2,6-dione CAS Name: 7-(10-hydroxydecyl)-3,7-dimethylpurin-7-ium-2,6-dione IUPAC Name: 7-(10-hydroxydecyl)-3,7-dimethylpurin-7-ium-2,6-dione Traditional Name: 7-(10-hydroxydecyl)-3,7-dimethyl-purin-7-ium-2,6-quinone Formula: C17H29N4O3+ MolecularWeight: 337.43716

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CCCCCCCCCCO

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)[N+](C=N2)(C)CCCCCCCCCCO

InChI

InChI=1S/C17H28N4O3/c1-20-15-14(16(23)19-17(20)24)21(2,13-18-15)11-9-7-5-3-4-6-8-10-12-22/h13,22H,3-12H2,1-2H3/p+1