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

Systemtic Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-cyclopentyl-4,7,8-trimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 6-cyclopentyl-4,7,8-trimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C22H33N6O2+ MolecularWeight: 413.53642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C)C

Isomeric SMILES

CC1=C(N2C3=C(N=C2N1C4CCCC4)N(C(=O)N(C3=O)CC[NH+]5CCCCC5)C)C

InChI

InChI=1S/C22H32N6O2/c1-15-16(2)28-18-19(23-21(28)27(15)17-9-5-6-10-17)24(3)22(30)26(20(18)29)14-13-25-11-7-4-8-12-25/h17H,4-14H2,1-3H3/p+1