4-chloranyl-2-phenyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Formula: C20H21ClN5O+ MolecularWeight: 382.86664

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C(C(=O)N(N=C3)C4=CC=CC=C4)Cl

InChI

InChI=1S/C20H20ClN5O/c21-19-18(14-23-26(20(19)27)17-4-2-1-3-5-17)25-12-10-24(11-13-25)15-16-6-8-22-9-7-16/h1-9,14H,10-13,15H2/p+1