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

Systemtic Name: 1-methyl-4-[[1-(3-nitrophenyl)-1,2,3,4-tetrazol-5-yl]methyl]piperazin-1-ium Openeye Name: 1-methyl-4-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]piperazin-1-ium CAS Name: 1-methyl-4-[[1-(3-nitrophenyl)-5-tetrazolyl]methyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]piperazin-1-ium Traditional Name: 1-methyl-4-[[1-(3-nitrophenyl)tetrazol-5-yl]methyl]piperazin-1-ium Formula: C13H18N7O2+ MolecularWeight: 304.32772

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=NN=NN2C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C13H17N7O2/c1-17-5-7-18(8-6-17)10-13-14-15-16-19(13)11-3-2-4-12(9-11)20(21)22/h2-4,9H,5-8,10H2,1H3/p+1