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

Systemtic Name: 1-(4-methylphenyl)-3-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]urea Openeye Name: 1-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[4-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]urea Traditional Name: 1-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]-3-(p-tolyl)urea Formula: C23H27N6O+ MolecularWeight: 403.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H26N6O/c1-17-3-7-19(8-4-17)24-23(30)25-20-9-5-18(6-10-20)21-11-12-22(27-26-21)29-15-13-28(2)14-16-29/h3-12H,13-16H2,1-2H3,(H2,24,25,30)/p+1