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

Systemtic Name: 1-[[1-(3-nitrophenyl)-1,2,3,4-tetrazol-5-yl]methyl]azepan-1-ium Openeye Name: 1-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]azepan-1-ium CAS Name: 1-[[1-(3-nitrophenyl)-5-tetrazolyl]methyl]azepan-1-ium IUPAC Name: 1-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]azepan-1-ium Traditional Name: 1-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]azepan-1-ium Formula: C14H19N6O2+ MolecularWeight: 303.33966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H18N6O2/c21-20(22)13-7-5-6-12(10-13)19-14(15-16-17-19)11-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11H2/p+1