3-[(4-methylpiperazin-4-ium-1-yl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[(4-methylpiperazin-4-ium-1-yl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-[(4-methylpiperazin-4-ium-1-yl)amino]-2H-1,2,4-triazin-5-one CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)amino]-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-[(4-methylpiperazin-4-ium-1-yl)amino]-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-[(4-methylpiperazin-4-ium-1-yl)amino]-2H-1,2,4-triazin-5-one Formula: C15H21N6O+ MolecularWeight: 301.36684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC2=NC(=O)C(=NN2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)NC2=NC(=O)C(=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C15H20N6O/c1-20-7-9-21(10-8-20)19-15-16-14(22)13(17-18-15)11-12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H2,16,18,19,22)/p+1