6-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-3-one

Systemtic Name: 6-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-3-one Openeye Name: 6-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-3-one CAS Name: 6-methyl-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2H-1,2,4-triazin-3-one IUPAC Name: 6-methyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2H-1,2,4-triazin-3-one Traditional Name: 6-methyl-5-(4-pyridin-1-ium-2-ylpiperazino)-2H-1,2,4-triazin-3-one Formula: C13H17N6O+ MolecularWeight: 273.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)N=C1N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CC1=NNC(=O)N=C1N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H16N6O/c1-10-12(15-13(20)17-16-10)19-8-6-18(7-9-19)11-4-2-3-5-14-11/h2-5H,6-9H2,1H3,(H,15,17,20)/p+1