3-methyl-7-(2-piperidin-1-ium-1-ylethyl)-8-piperidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)-8-piperidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)-8-(1-piperidyl)purine-2,6-dione CAS Name: 3-methyl-7-[2-(1-piperidin-1-iumyl)ethyl]-8-(1-piperidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)-8-piperidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-(2-piperidin-1-ium-1-ylethyl)-8-piperidino-xanthine Formula: C18H29N6O2+ MolecularWeight: 361.46186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC[NH+]4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CC[NH+]4CCCCC4

InChI

InChI=1S/C18H28N6O2/c1-21-15-14(16(25)20-18(21)26)24(13-12-22-8-4-2-5-9-22)17(19-15)23-10-6-3-7-11-23/h2-13H2,1H3,(H,20,25,26)/p+1