5-bromanyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-bromanyl-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 5-bromo-4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one CAS Name: 5-bromo-4-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 5-bromo-4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-1H-pyridazin-6-one Traditional Name: 5-bromo-4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Formula: C16H20BrN4O+ MolecularWeight: 364.2602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)NN=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=C(C(=O)NN=C3)Br

InChI

InChI=1S/C16H19BrN4O/c1-12-4-2-3-5-13(12)11-20-6-8-21(9-7-20)14-10-18-19-16(22)15(14)17/h2-5,10H,6-9,11H2,1H3,(H,19,22)/p+1