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

Systemtic Name: 7-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzhydrylpiperazin-4-ium-1-yl)-2,5-dimethyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C31H32N5+ MolecularWeight: 474.61928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C)C6=CC=CC=C6

Isomeric SMILES

CC1=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/C31H31N5/c1-23-22-28(36-31(32-23)29(24(2)33-36)25-12-6-3-7-13-25)34-18-20-35(21-19-34)30(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17,22,30H,18-21H2,1-2H3/p+1