1-(4-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide

Systemtic Name: 1-(4-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Openeye Name: 1-(4-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide CAS Name: 1-(4-fluorophenyl)-N-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide IUPAC Name: 1-(4-fluorophenyl)-N-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propyl]-5-thiophen-2-yl-1,2,4-triazole-3-carboxamide Traditional Name: 1-(4-fluorophenyl)-N-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propyl]-5-(2-thienyl)-1,2,4-triazole-3-carboxamide Formula: C24H26FN8OS+ MolecularWeight: 493.579643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C5=NC=CC=N5

InChI

InChI=1S/C24H25FN8OS/c25-18-5-7-19(8-6-18)33-22(20-4-1-17-35-20)29-21(30-33)23(34)26-11-3-12-31-13-15-32(16-14-31)24-27-9-2-10-28-24/h1-2,4-10,17H,3,11-16H2,(H,26,34)/p+1