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

Systemtic Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)-6-propan-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-isopropyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-2-[2-(1-piperidin-1-iumyl)ethyl]-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)-6-propan-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-isopropyl-4,7-dimethyl-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C19H29N6O2+ MolecularWeight: 373.47256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C3=C(N=C2N1C(C)C)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

Isomeric SMILES

CC1=CN2C3=C(N=C2N1C(C)C)N(C(=O)N(C3=O)CC[NH+]4CCCCC4)C

InChI

InChI=1S/C19H28N6O2/c1-13(2)25-14(3)12-24-15-16(20-18(24)25)21(4)19(27)23(17(15)26)11-10-22-8-6-5-7-9-22/h12-13H,5-11H2,1-4H3/p+1