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

Systemtic Name: 2-[4-[1-(2-chlorophenyl)-6-methyl-4-oxidanylidene-pyridazin-3-yl]carbonylpiperazin-1-ium-1-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-[1-(2-chlorophenyl)-6-methyl-4-oxo-pyridazine-3-carbonyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-[[1-(2-chlorophenyl)-6-methyl-4-oxo-3-pyridazinyl]-oxomethyl]-1-piperazin-1-iumyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-[1-(2-chlorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-ium-1-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-[1-(2-chlorophenyl)-4-keto-6-methyl-pyridazine-3-carbonyl]piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C25H27ClN5O3+ MolecularWeight: 480.96658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=CC3=O)C)C4=CC=CC=C4Cl

InChI

InChI=1S/C25H26ClN5O3/c1-17-7-9-19(10-8-17)27-23(33)16-29-11-13-30(14-12-29)25(34)24-22(32)15-18(2)31(28-24)21-6-4-3-5-20(21)26/h3-10,15H,11-14,16H2,1-2H3,(H,27,33)/p+1