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

Systemtic Name: 6-butyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-butyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-butyl-4,7,8-trimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-butyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-butyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H33N6O2+ MolecularWeight: 401.52572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C)C

Isomeric SMILES

CCCCN1C(=C(N2C1=NC3=C2C(=O)N(C(=O)N3C)CC[NH+]4CCCCC4)C)C

InChI

InChI=1S/C21H32N6O2/c1-5-6-12-25-15(2)16(3)27-17-18(22-20(25)27)23(4)21(29)26(19(17)28)14-13-24-10-8-7-9-11-24/h5-14H2,1-4H3/p+1