N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide Formula: C23H28FN6O+ MolecularWeight: 423.506423

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=NN(C(=N3)C)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C23H27FN6O/c1-4-28-11-13-29(14-12-28)21-10-7-19(15-16(21)2)26-23(31)22-25-17(3)30(27-22)20-8-5-18(24)6-9-20/h5-10,15H,4,11-14H2,1-3H3,(H,26,31)/p+1