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

Systemtic Name: 6-(4-dimethylaminophenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(4-dimethylaminophenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione CAS Name: 6-(4-dimethylaminophenyl)-4-methyl-2-[2-(1-piperidin-1-iumyl)ethyl]-7,8-dihydropurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(4-dimethylaminophenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(4-dimethylaminophenyl)-4-methyl-2-(2-piperidin-1-ium-1-ylethyl)-7,8-dihydropurin[7,8-a]imidazole-1,3-quinone Formula: C23H32N7O2+ MolecularWeight: 438.54588

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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=C(C=C5)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H31N7O2/c1-25(2)17-7-9-18(10-8-17)28-15-16-29-19-20(24-22(28)29)26(3)23(32)30(21(19)31)14-13-27-11-5-4-6-12-27/h7-10H,4-6,11-16H2,1-3H3/p+1