2-(benzotriazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C19H21FN5O+ MolecularWeight: 354.401343

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H20FN5O/c20-16-6-2-1-5-15(16)13-23-9-11-24(12-10-23)19(26)14-25-18-8-4-3-7-17(18)21-22-25/h1-8H,9-14H2/p+1