5-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]prop-1-ynyl]pyrimidine

Systemtic Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]prop-1-ynyl]pyrimidine Openeye Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]prop-1-ynyl]pyrimidine CAS Name: 5-[3-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]prop-1-ynyl]pyrimidine IUPAC Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]prop-1-ynyl]pyrimidine Traditional Name: 5-[3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]prop-1-ynyl]pyrimidine Formula: C17H18FN4+ MolecularWeight: 297.350023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC#CC2=CN=CN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC#CC2=CN=CN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN4/c18-16-3-5-17(6-4-16)22-10-8-21(9-11-22)7-1-2-15-12-19-14-20-13-15/h3-6,12-14H,7-11H2/p+1