2-[4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]carbonylpiperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[1-(4-chlorophenyl)-5-(2-furanyl)-3-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[1-(4-chlorophenyl)-5-(furan-2-yl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[1-(4-chlorophenyl)-5-(2-furyl)pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C25H29ClN5O3+ MolecularWeight: 482.98246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=C3)C4=CC=CO4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NN(C(=C3)C4=CC=CO4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C25H28ClN5O3/c26-19-6-8-20(9-7-19)31-22(23-5-4-16-34-23)17-21(27-31)25(33)30-14-12-28(13-15-30)18-24(32)29-10-2-1-3-11-29/h4-9,16-17H,1-3,10-15,18H2/p+1