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

Systemtic Name: 6-(3-methoxyphenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(3-methoxyphenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(3-methoxyphenyl)-4-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(3-methoxyphenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(3-methoxyphenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C22H29N6O3+ MolecularWeight: 425.50406

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCN(C4=N2)C5=CC(=CC=C5)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC[NH+]3CCCCC3)N4CCN(C4=N2)C5=CC(=CC=C5)OC

InChI

InChI=1S/C22H28N6O3/c1-24-19-18(20(29)28(22(24)30)12-11-25-9-4-3-5-10-25)27-14-13-26(21(27)23-19)16-7-6-8-17(15-16)31-2/h6-8,15H,3-5,9-14H2,1-2H3/p+1