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

Systemtic Name: 7-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-2-methyl-3-phenyl-5-propyl-pyrazolo[1,5-a]pyrimidine Formula: C33H36N5+ MolecularWeight: 502.67244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C6=CC=CC=C6

Isomeric SMILES

CCCC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C6=CC=CC=C6

InChI

InChI=1S/C33H35N5/c1-3-13-29-24-30(38-33(34-29)31(25(2)35-38)26-14-7-4-8-15-26)36-20-22-37(23-21-36)32(27-16-9-5-10-17-27)28-18-11-6-12-19-28/h4-12,14-19,24,32H,3,13,20-23H2,1-2H3/p+1