6-hexyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-hexyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-hexyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7,8-trimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-hexyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H37N6O2+ MolecularWeight: 429.57888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C)C

Isomeric SMILES

CCCCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C)C

InChI

InChI=1S/C23H36N6O2/c1-5-6-7-11-14-27-17(2)18(3)29-19-20(24-22(27)29)25(4)23(31)28(21(19)30)16-15-26-12-9-8-10-13-26/h5-16H2,1-4H3/p+1