7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-(4-cyclohexyl-1-piperazin-4-iumyl)-2-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-cyclohexylpiperazin-4-ium-1-yl)-2-(3,4-dimethoxyphenyl)-3,5-dimethyl-pyrazolo[1,5-a]pyrimidine Formula: C26H36N5O2+ MolecularWeight: 450.59634

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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)OC)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C26H35N5O2/c1-18-16-24(30-14-12-29(13-15-30)21-8-6-5-7-9-21)31-26(27-18)19(2)25(28-31)20-10-11-22(32-3)23(17-20)33-4/h10-11,16-17,21H,5-9,12-15H2,1-4H3/p+1