4-bromanyl-2-phenyl-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 4-bromanyl-2-phenyl-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 4-bromo-2-phenyl-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 4-bromo-2-phenyl-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 4-bromo-2-phenyl-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 4-bromo-2-phenyl-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C14H16BrN4O+ MolecularWeight: 336.20704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C(C(=O)N(N=C2)C3=CC=CC=C3)Br

InChI

InChI=1S/C14H15BrN4O/c15-13-12(18-8-6-16-7-9-18)10-17-19(14(13)20)11-4-2-1-3-5-11/h1-5,10,16H,6-9H2/p+1