2-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxidanylidene-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one

Systemtic Name: 2-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxidanylidene-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Openeye Name: 2-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxo-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one CAS Name: 2-[2-[3-(3,5-dimethyl-1-pyrazolyl)-1-azetidinyl]-2-oxoethyl]-5-(1-piperazin-4-iumyl)-3-pyridazinone IUPAC Name: 2-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-oxoethyl]-5-piperazin-4-ium-1-ylpyridazin-3-one Traditional Name: 2-[2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-2-keto-ethyl]-5-piperazin-4-ium-1-yl-pyridazin-3-one Formula: C18H26N7O2+ MolecularWeight: 372.44474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2CN(C2)C(=O)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4)C

Isomeric SMILES

CC1=CC(=NN1C2CN(C2)C(=O)CN3C(=O)C=C(C=N3)N4CC[NH2+]CC4)C

InChI

InChI=1S/C18H25N7O2/c1-13-7-14(2)25(21-13)16-10-23(11-16)18(27)12-24-17(26)8-15(9-20-24)22-5-3-19-4-6-22/h7-9,16,19H,3-6,10-12H2,1-2H3/p+1