4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[2-(4-chloranylphenoxy)ethyl]piperazin-4-ium-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[[4-[2-(4-chlorophenoxy)ethyl]-1-piperazin-4-iumyl]-oxomethyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[2-(4-chlorophenoxy)ethyl]piperazin-4-ium-1-carbonyl]-2H-phthalazin-1-one Formula: C21H22ClN4O3+ MolecularWeight: 413.87738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=C(C=C2)Cl)C(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H21ClN4O3/c22-15-5-7-16(8-6-15)29-14-13-25-9-11-26(12-10-25)21(28)19-17-3-1-2-4-18(17)20(27)24-23-19/h1-8H,9-14H2,(H,24,27)/p+1