3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine CAS Name: 3-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1H-1,2,4-triazol-5-amine IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine Traditional Name: [3-(4-pyridin-1-ium-2-ylpiperazino)-1H-1,2,4-triazol-5-yl]amine Formula: C11H16N7+ MolecularWeight: 246.29164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NNC(=N3)N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C3=NNC(=N3)N

InChI

InChI=1S/C11H15N7/c12-10-14-11(16-15-10)18-7-5-17(6-8-18)9-3-1-2-4-13-9/h1-4H,5-8H2,(H3,12,14,15,16)/p+1