3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-5-methyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-5-methyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-5-methyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-chlorophenyl)-7-(4-cyclohexyl-1-piperazin-4-iumyl)-5-methylpyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-5-methylpyrazolo[1,5-a]pyrimidine Traditional Name: 3-(4-chlorophenyl)-7-(4-cyclohexylpiperazin-4-ium-1-yl)-5-methyl-pyrazolo[1,5-a]pyrimidine Formula: C23H29ClN5+ MolecularWeight: 410.96286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C4CCCCC4)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)C4CCCCC4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H28ClN5/c1-17-15-22(28-13-11-27(12-14-28)20-5-3-2-4-6-20)29-23(26-17)21(16-25-29)18-7-9-19(24)10-8-18/h7-10,15-16,20H,2-6,11-14H2,1H3/p+1