4-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-thiophen-2-yl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]-N-thiophen-2-yl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-thienyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[[1-(3-fluorophenyl)-5-tetrazolyl]methyl]-N-thiophen-2-yl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-thiophen-2-ylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]-N-(2-thienyl)piperazin-4-ium-1-carboxamide Formula: C17H19FN7OS+ MolecularWeight: 388.442463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NN=NN2C3=CC(=CC=C3)F)C(=O)NC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NN=NN2C3=CC(=CC=C3)F)C(=O)NC4=CC=CS4

InChI

InChI=1S/C17H18FN7OS/c18-13-3-1-4-14(11-13)25-15(20-21-22-25)12-23-6-8-24(9-7-23)17(26)19-16-5-2-10-27-16/h1-5,10-11H,6-9,12H2,(H,19,26)/p+1