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

Systemtic Name: 2-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazol-3-yl]carbonylpiperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[5-(4-chlorophenyl)-2-phenyl-3-pyrazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[5-(4-chlorophenyl)-2-phenylpyrazole-3-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[5-(4-chlorophenyl)-2-phenyl-pyrazole-3-carbonyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C26H29ClN5O2+ MolecularWeight: 478.99376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NN3C4=CC=CC=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H28ClN5O2/c27-21-10-8-20(9-11-21)23-18-24(32(28-23)22-6-2-1-3-7-22)26(34)31-16-14-29(15-17-31)19-25(33)30-12-4-5-13-30/h1-3,6-11,18H,4-5,12-17,19H2/p+1