4,5-bis(chloranyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one

Systemtic Name: 4,5-bis(chloranyl)-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one Openeye Name: 4,5-dichloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one CAS Name: 4,5-dichloro-2-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3-pyridazinone IUPAC Name: 4,5-dichloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one Traditional Name: 4,5-dichloro-2-[(4-phenylpiperazin-1-ium-1-yl)methyl]pyridazin-3-one Formula: C15H17Cl2N4O+ MolecularWeight: 340.22768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=O)C(=C(C=N2)Cl)Cl)C3=CC=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=O)C(=C(C=N2)Cl)Cl)C3=CC=CC=C3

InChI

InChI=1S/C15H16Cl2N4O/c16-13-10-18-21(15(22)14(13)17)11-19-6-8-20(9-7-19)12-4-2-1-3-5-12/h1-5,10H,6-9,11H2/p+1