7-[(2R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2R)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]propyl]-1,3-dimethyl-xanthine Formula: C21H29N6O4+ MolecularWeight: 429.49276

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(C[NH+]3CCN(CC3)C4=CC=CC=C4OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C[C@H](C[NH+]3CCN(CC3)C4=CC=CC=C4OC)O

InChI

InChI=1S/C21H28N6O4/c1-23-19-18(20(29)24(2)21(23)30)27(14-22-19)13-15(28)12-25-8-10-26(11-9-25)16-6-4-5-7-17(16)31-3/h4-7,14-15,28H,8-13H2,1-3H3/p+1/t15-/m0/s1