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

Systemtic Name: N-tert-butyl-4-[[1-(3-fluorophenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-tert-butyl-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide CAS Name: N-tert-butyl-4-[[1-(3-fluorophenyl)-5-tetrazolyl]methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-tert-butyl-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-tert-butyl-4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazin-4-ium-1-carboxamide Formula: C17H25FN7O+ MolecularWeight: 362.425103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)(C)NC(=O)N1CC[NH+](CC1)CC2=NN=NN2C3=CC(=CC=C3)F

InChI

InChI=1S/C17H24FN7O/c1-17(2,3)19-16(26)24-9-7-23(8-10-24)12-15-20-21-22-25(15)14-6-4-5-13(18)11-14/h4-6,11H,7-10,12H2,1-3H3,(H,19,26)/p+1