6-tert-butyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-tert-butyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Openeye Name: 6-tert-butyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one CAS Name: 6-tert-butyl-3-(1-piperazin-4-iumyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-tert-butyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Traditional Name: 6-tert-butyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Formula: C11H20N5O+ MolecularWeight: 238.3094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NNC(=NC1=O)N2CC[NH2+]CC2

Isomeric SMILES

CC(C)(C)C1=NNC(=NC1=O)N2CC[NH2+]CC2

InChI

InChI=1S/C11H19N5O/c1-11(2,3)8-9(17)13-10(15-14-8)16-6-4-12-5-7-16/h12H,4-7H2,1-3H3,(H,13,15,17)/p+1