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

Systemtic Name: 4,7-dimethyl-6-(3-methylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Openeye Name: 4,7-dimethyl-6-(m-tolyl)-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 4,7-dimethyl-6-(3-methylphenyl)-2-[2-(1-piperidin-1-iumyl)ethyl]purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4,7-dimethyl-6-(3-methylphenyl)-2-(2-piperidin-1-ium-1-ylethyl)purino[7,8-a]imidazole-1,3-dione Traditional Name: 4,7-dimethyl-6-(m-tolyl)-2-(2-piperidin-1-ium-1-ylethyl)purin[7,8-a]imidazole-1,3-quinone Formula: C23H29N6O2+ MolecularWeight: 421.51536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=CN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5)C

InChI

InChI=1S/C23H28N6O2/c1-16-8-7-9-18(14-16)29-17(2)15-28-19-20(24-22(28)29)25(3)23(31)27(21(19)30)13-12-26-10-5-4-6-11-26/h7-9,14-15H,4-6,10-13H2,1-3H3/p+1