5-methyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-3-phenyl-7-[4-(phenylmethyl)piperazin-4-ium-1-yl]-6-prop-2-enyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 6-allyl-7-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-3-phenyl-7-[4-(phenylmethyl)-1-piperazin-4-iumyl]-6-prop-2-enylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-6-prop-2-enylpyrazolo[1,5-a]pyrimidine Traditional Name: 6-allyl-7-(4-benzylpiperazin-4-ium-1-yl)-5-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C27H30N5+ MolecularWeight: 424.5606

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1CC=C)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1CC=C)N3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5/c1-3-10-24-21(2)29-26-25(23-13-8-5-9-14-23)19-28-32(26)27(24)31-17-15-30(16-18-31)20-22-11-6-4-7-12-22/h3-9,11-14,19H,1,10,15-18,20H2,2H3/p+1