8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[[4-(5-chloro-2-methylphenyl)-1-piperazin-1-iumyl]methyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[[4-(5-chloro-2-methylphenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 8-[[4-(5-chloro-2-methyl-phenyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-7H-purine-2,6-quinone Formula: C19H24ClN6O2+ MolecularWeight: 403.88586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CC[NH+](CC2)CC3=NC4=C(N3)C(=O)N(C(=O)N4C)C

InChI

InChI=1S/C19H23ClN6O2/c1-12-4-5-13(20)10-14(12)26-8-6-25(7-9-26)11-15-21-16-17(22-15)23(2)19(28)24(3)18(16)27/h4-5,10H,6-9,11H2,1-3H3,(H,21,22)/p+1