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

Systemtic Name: 4-chloranyl-2-phenyl-5-[4-(quinolin-2-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Openeye Name: 4-chloro-2-phenyl-5-[4-(2-quinolylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one CAS Name: 4-chloro-2-phenyl-5-[4-(2-quinolinylmethyl)-1-piperazin-4-iumyl]-3-pyridazinone IUPAC Name: 4-chloro-2-phenyl-5-[4-(quinolin-2-ylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Traditional Name: 4-chloro-2-phenyl-5-[4-(2-quinolylmethyl)piperazin-4-ium-1-yl]pyridazin-3-one Formula: C24H23ClN5O+ MolecularWeight: 432.92532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C=C2)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3C=C2)C4=C(C(=O)N(N=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C24H22ClN5O/c25-23-22(16-26-30(24(23)31)20-7-2-1-3-8-20)29-14-12-28(13-15-29)17-19-11-10-18-6-4-5-9-21(18)27-19/h1-11,16H,12-15,17H2/p+1