4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile

Systemtic Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Openeye Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile CAS Name: 4-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-1,2,4-triazole-3-carbonitrile IUPAC Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Traditional Name: 4-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]-1,2,4-triazole-3-carbonitrile Formula: C14H16FN6+ MolecularWeight: 287.315443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=NN=C2C#N)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C=NN=C2C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H15FN6/c15-12-1-3-13(4-2-12)20-7-5-19(6-8-20)11-21-10-17-18-14(21)9-16/h1-4,10H,5-8,11H2/p+1