3-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 3-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 3-(4-fluorophenyl)-5-methyl-7-(4-methyl-1-piperazin-4-iumyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 3-(4-fluorophenyl)-5-methyl-7-(4-methylpiperazin-4-ium-1-yl)pyrazolo[1,5-a]pyrimidine Formula: C18H21FN5+ MolecularWeight: 326.391243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20FN5/c1-13-11-17(23-9-7-22(2)8-10-23)24-18(21-13)16(12-20-24)14-3-5-15(19)6-4-14/h3-6,11-12H,7-10H2,1-2H3/p+1