4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C24H22ClN4O2S+ MolecularWeight: 465.97508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Cl)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H21ClN4O2S/c25-21-11-10-18(32-21)16-27-12-14-28(15-13-27)24(31)22-19-8-4-5-9-20(19)23(30)29(26-22)17-6-2-1-3-7-17/h1-11H,12-16H2/p+1