2-[4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperazin-1-ium-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-[[1-(4-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-N-ethylacetamide IUPAC Name: 2-[4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-N-ethylacetamide Traditional Name: 2-[4-[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-N-ethyl-acetamide Formula: C22H25ClN5O3+ MolecularWeight: 442.9186

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCNC(=O)C[NH+]1CCN(CC1)C(=O)C2=NN(C(=C2)C3=CC=CO3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H24ClN5O3/c1-2-24-21(29)15-26-9-11-27(12-10-26)22(30)18-14-19(20-4-3-13-31-20)28(25-18)17-7-5-16(23)6-8-17/h3-8,13-14H,2,9-12,15H2,1H3,(H,24,29)/p+1