6-(2-methoxy-5-methyl-phenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(2-methoxy-5-methyl-phenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2-methoxy-5-methyl-phenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2-methoxy-5-methylphenyl)-4-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2-methoxy-5-methylphenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-methoxy-5-methyl-phenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2CCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC[NH+]5CCCCC5

InChI

InChI=1S/C23H30N6O3/c1-16-7-8-18(32-3)17(15-16)27-13-14-28-19-20(24-22(27)28)25(2)23(31)29(21(19)30)12-11-26-9-5-4-6-10-26/h7-8,15H,4-6,9-14H2,1-3H3/p+1