3,7-dimethyl-7-(9-oxidanyldecyl)purin-7-ium-2,6-dione

Systemtic Name: 3,7-dimethyl-7-(9-oxidanyldecyl)purin-7-ium-2,6-dione Openeye Name: 7-(9-hydroxydecyl)-3,7-dimethyl-purin-7-ium-2,6-dione CAS Name: 7-(9-hydroxydecyl)-3,7-dimethylpurin-7-ium-2,6-dione IUPAC Name: 7-(9-hydroxydecyl)-3,7-dimethylpurin-7-ium-2,6-dione Traditional Name: 7-(9-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:

CC(CCCCCCCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)C)O

Isomeric SMILES

CC(CCCCCCCC[N+]1(C=NC2=C1C(=O)NC(=O)N2C)C)O

InChI

InChI=1S/C17H28N4O3/c1-13(22)10-8-6-4-5-7-9-11-21(3)12-18-15-14(21)16(23)19-17(24)20(15)2/h12-13,22H,4-11H2,1-3H3/p+1