5-chloranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one

Systemtic Name: 5-chloranyl-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyridazin-6-one Openeye Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-chloro-1H-pyridazin-6-one CAS Name: 5-chloro-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyridazin-6-one IUPAC Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-chloro-1H-pyridazin-6-one Traditional Name: 4-(4-benzylpiperazin-4-ium-1-yl)-5-chloro-1H-pyridazin-6-one Formula: C15H18ClN4O+ MolecularWeight: 305.78262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)NN=C3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=C(C(=O)NN=C3)Cl

InChI

InChI=1S/C15H17ClN4O/c16-14-13(10-17-18-15(14)21)20-8-6-19(7-9-20)11-12-4-2-1-3-5-12/h1-5,10H,6-9,11H2,(H,18,21)/p+1