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

Systemtic Name: 3-(2-methoxyphenyl)-5-methyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidine CAS Name: 3-(2-methoxyphenyl)-5-methyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-(4-benzylpiperazin-4-ium-1-yl)-3-(2-methoxyphenyl)-5-methyl-pyrazolo[1,5-a]pyrimidine Formula: C25H28N5O+ MolecularWeight: 414.52272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5OC

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5OC

InChI

InChI=1S/C25H27N5O/c1-19-16-24(29-14-12-28(13-15-29)18-20-8-4-3-5-9-20)30-25(27-19)22(17-26-30)21-10-6-7-11-23(21)31-2/h3-11,16-17H,12-15,18H2,1-2H3/p+1