2-ethyl-5-methyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-ethyl-5-methyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 2-ethyl-5-methyl-3-phenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-2-ethyl-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H30N5+ MolecularWeight: 412.5499

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H29N5/c1-3-23-25(22-12-8-5-9-13-22)26-27-20(2)18-24(31(26)28-23)30-16-14-29(15-17-30)19-21-10-6-4-7-11-21/h4-13,18H,3,14-17,19H2,1-2H3/p+1