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

Systemtic Name: 6-phenyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Openeye Name: 6-phenyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one CAS Name: 6-phenyl-3-(1-piperazin-4-iumyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-phenyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Traditional Name: 6-phenyl-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Formula: C13H16N5O+ MolecularWeight: 258.29904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=NC(=O)C(=NN2)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH2+]1)C2=NC(=O)C(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C13H15N5O/c19-12-11(10-4-2-1-3-5-10)16-17-13(15-12)18-8-6-14-7-9-18/h1-5,14H,6-9H2,(H,15,17,19)/p+1