1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]benzotriazole IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]benzotriazole Formula: C17H19FN5+ MolecularWeight: 312.364663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3N=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C17H18FN5/c18-14-5-7-15(8-6-14)22-11-9-21(10-12-22)13-23-17-4-2-1-3-16(17)19-20-23/h1-8H,9-13H2/p+1