1-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione

Systemtic Name: 1-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[3-[4-(1H-indol-3-yl)-1-piperidin-1-iumyl]propyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[3-[4-(1H-indol-3-yl)piperidin-1-ium-1-yl]propyl]-3,7-dimethyl-xanthine Formula: C23H29N6O2+ MolecularWeight: 421.51536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC[NH+]3CCC(CC3)C4=CNC5=CC=CC=C54

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCC[NH+]3CCC(CC3)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H28N6O2/c1-26-15-25-21-20(26)22(30)29(23(31)27(21)2)11-5-10-28-12-8-16(9-13-28)18-14-24-19-7-4-3-6-17(18)19/h3-4,6-7,14-16,24H,5,8-13H2,1-2H3/p+1