1-cyclohexyl-3-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]urea

Systemtic Name: 1-cyclohexyl-3-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]urea Openeye Name: 1-cyclohexyl-3-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]urea CAS Name: 1-cyclohexyl-3-[4-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]urea IUPAC Name: 1-cyclohexyl-3-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]urea Traditional Name: 1-cyclohexyl-3-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]urea Formula: C22H31N6O+ MolecularWeight: 395.52114

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4CCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NC(=O)NC4CCCCC4

InChI

InChI=1S/C22H30N6O/c1-27-13-15-28(16-14-27)21-12-11-20(25-26-21)17-7-9-19(10-8-17)24-22(29)23-18-5-3-2-4-6-18/h7-12,18H,2-6,13-16H2,1H3,(H2,23,24,29)/p+1