5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazin-3-one

Systemtic Name: 5-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2H-1,2,4-triazin-3-one Openeye Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2H-1,2,4-triazin-3-one CAS Name: 5-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2H-1,2,4-triazin-3-one IUPAC Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2H-1,2,4-triazin-3-one Traditional Name: 5-(4-benzylpiperazin-4-ium-1-yl)-2H-1,2,4-triazin-3-one Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)NN=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=NC(=O)NN=C3

InChI

InChI=1S/C14H17N5O/c20-14-16-13(10-15-17-14)19-8-6-18(7-9-19)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,16,17,20)/p+1