4-chloranyl-2-phenyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[3-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]propylamino]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[3-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propylamino]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[3-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]propylamino]pyridazin-3-one Formula: C21H25ClN7O+ MolecularWeight: 426.9225

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CCCNC2=C(C(=O)N(N=C2)C3=CC=CC=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H24ClN7O/c22-19-18(16-26-29(20(19)30)17-6-2-1-3-7-17)23-10-5-11-27-12-14-28(15-13-27)21-24-8-4-9-25-21/h1-4,6-9,16,23H,5,10-15H2/p+1