1-[[1-(4-nitrophenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidin-1-ium

Systemtic Name: 1-[[1-(4-nitrophenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperidin-1-ium Openeye Name: 1-[[1-(4-nitrophenyl)tetrazol-5-yl]methyl]piperidin-1-ium CAS Name: 1-[[1-(4-nitrophenyl)-5-tetrazolyl]methyl]piperidin-1-ium IUPAC Name: 1-[[1-(4-nitrophenyl)tetrazol-5-yl]methyl]piperidin-1-ium Traditional Name: 1-[[1-(4-nitrophenyl)tetrazol-5-yl]methyl]piperidin-1-ium Formula: C13H17N6O2+ MolecularWeight: 289.31308

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NN=NN2C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=NN=NN2C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H16N6O2/c20-19(21)12-6-4-11(5-7-12)18-13(14-15-16-18)10-17-8-2-1-3-9-17/h4-7H,1-3,8-10H2/p+1