N-[[2,4-bis(chloranyl)-6-methyl-phenyl]methyl]-2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)ethanamide

Systemtic Name: N-[[2,4-bis(chloranyl)-6-methyl-phenyl]methyl]-2-(6-oxidanylidene-4-piperazin-4-ium-1-yl-pyridazin-1-yl)ethanamide Openeye Name: N-[(2,4-dichloro-6-methyl-phenyl)methyl]-2-(6-oxo-4-piperazin-4-ium-1-yl-pyridazin-1-yl)acetamide CAS Name: N-[(2,4-dichloro-6-methylphenyl)methyl]-2-[6-oxo-4-(1-piperazin-4-iumyl)-1-pyridazinyl]acetamide IUPAC Name: N-[(2,4-dichloro-6-methylphenyl)methyl]-2-(6-oxo-4-piperazin-4-ium-1-ylpyridazin-1-yl)acetamide Traditional Name: N-(2,4-dichloro-6-methyl-benzyl)-2-(6-keto-4-piperazin-4-ium-1-yl-pyridazin-1-yl)acetamide Formula: C18H22Cl2N5O2+ MolecularWeight: 411.30558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CNC(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3)Cl)Cl

Isomeric SMILES

CC1=CC(=CC(=C1CNC(=O)CN2C(=O)C=C(C=N2)N3CC[NH2+]CC3)Cl)Cl

InChI

InChI=1S/C18H21Cl2N5O2/c1-12-6-13(19)7-16(20)15(12)10-22-17(26)11-25-18(27)8-14(9-23-25)24-4-2-21-3-5-24/h6-9,21H,2-5,10-11H2,1H3,(H,22,26)/p+1