piperazin-4-ium-1-yl-[4-(1,2,3,4-tetrazol-1-yl)phenyl]methanone

Systemtic Name: piperazin-4-ium-1-yl-[4-(1,2,3,4-tetrazol-1-yl)phenyl]methanone Openeye Name: piperazin-4-ium-1-yl-[4-(tetrazol-1-yl)phenyl]methanone CAS Name: 1-piperazin-4-iumyl-[4-(1-tetrazolyl)phenyl]methanone IUPAC Name: piperazin-4-ium-1-yl-[4-(tetrazol-1-yl)phenyl]methanone Traditional Name: piperazin-4-ium-1-yl-[4-(tetrazol-1-yl)phenyl]methanone Formula: C12H15N6O+ MolecularWeight: 259.2871

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)N3C=NN=N3

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC=C(C=C2)N3C=NN=N3

InChI

InChI=1S/C12H14N6O/c19-12(17-7-5-13-6-8-17)10-1-3-11(4-2-10)18-9-14-15-16-18/h1-4,9,13H,5-8H2/p+1