2-[2-(4-chlorophenyl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-[2-(4-chlorophenyl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[2-(4-chlorophenyl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[2-(4-chlorophenyl)ethyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[2-(4-chlorophenyl)ethyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[2-(4-chlorophenyl)ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=O)N(N=C2)CCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H19ClN4O/c17-14-3-1-13(2-4-14)5-8-21-16(22)11-15(12-19-21)20-9-6-18-7-10-20/h1-4,11-12,18H,5-10H2/p+1