4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]-1-methyl-pyrazolo[3,4-d]pyrimidine Formula: C17H20ClN6+ MolecularWeight: 343.8339

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H19ClN6/c1-22-16-15(10-21-22)17(20-12-19-16)24-8-6-23(7-9-24)11-13-2-4-14(18)5-3-13/h2-5,10,12H,6-9,11H2,1H3/p+1