6-(4-methylphenyl)-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one

Systemtic Name: 6-(4-methylphenyl)-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Openeye Name: 3-piperazin-4-ium-1-yl-6-(p-tolyl)-2H-1,2,4-triazin-5-one CAS Name: 6-(4-methylphenyl)-3-(1-piperazin-4-iumyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-(4-methylphenyl)-3-piperazin-4-ium-1-yl-2H-1,2,4-triazin-5-one Traditional Name: 3-piperazin-4-ium-1-yl-6-(p-tolyl)-2H-1,2,4-triazin-5-one Formula: C14H18N5O+ MolecularWeight: 272.32562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CC[NH2+]CC3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=NC2=O)N3CC[NH2+]CC3

InChI

InChI=1S/C14H17N5O/c1-10-2-4-11(5-3-10)12-13(20)16-14(18-17-12)19-8-6-15-7-9-19/h2-5,15H,6-9H2,1H3,(H,16,18,20)/p+1