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

Systemtic Name: 6-hexyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-hexyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-hexyl-4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-hexyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-hexyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H35N6O2+ MolecularWeight: 415.5523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C

Isomeric SMILES

CCCCCCN1C(=CN2C1=NC3=C2C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C22H34N6O2/c1-4-5-6-10-13-26-17(2)16-28-18-19(23-21(26)28)24(3)22(30)27(20(18)29)15-14-25-11-8-7-9-12-25/h16H,4-15H2,1-3H3/p+1