4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-4-ium-2-one CAS Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]-2-piperazin-4-iumone IUPAC Name: 4-[(4,6-diamino-1,3,5-triazin-2-yl)methyl]piperazin-4-ium-2-one Traditional Name: 4-[(4,6-diamino-s-triazin-2-yl)methyl]piperazin-4-ium-2-one Formula: C8H14N7O+ MolecularWeight: 224.24306

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=NC(=NC(=N2)N)N

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=NC(=NC(=N2)N)N

InChI

InChI=1S/C8H13N7O/c9-7-12-5(13-8(10)14-7)3-15-2-1-11-6(16)4-15/h1-4H2,(H,11,16)(H4,9,10,12,13,14)/p+1