4-[[4-[1-(2-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[1-(2-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[1-(2-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[1-(2-chlorophenyl)-6-methyl-4-oxo-3-pyridazinyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[1-(2-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carbonyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H23ClN5O2+ MolecularWeight: 448.92472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2Cl)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H22ClN5O2/c1-17-14-22(31)23(27-30(17)21-5-3-2-4-20(21)25)24(32)29-12-10-28(11-13-29)16-19-8-6-18(15-26)7-9-19/h2-9,14H,10-13,16H2,1H3/p+1