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

Systemtic Name: 4-[[4-(6-methyl-4-oxidanylidene-1-phenyl-pyridazin-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(6-methyl-4-oxo-1-phenyl-pyridazine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(6-methyl-4-oxo-1-phenyl-3-pyridazinyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(6-methyl-4-oxo-1-phenylpyridazine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-keto-6-methyl-1-phenyl-pyridazine-3-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C24H24N5O2+ MolecularWeight: 414.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)N3CC[NH+](CC3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H23N5O2/c1-18-15-22(30)23(26-29(18)21-5-3-2-4-6-21)24(31)28-13-11-27(12-14-28)17-20-9-7-19(16-25)8-10-20/h2-10,15H,11-14,17H2,1H3/p+1