[3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone CAS Name: [3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl]-[4-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl]-[4-(2-pyrrolidin-1-ium-1-ylethyl)piperazino]methanone Formula: C26H31ClN5O+ MolecularWeight: 465.01024

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](C1)CCN2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H30ClN5O/c27-22-10-8-21(9-11-22)25-24(20-32(28-25)23-6-2-1-3-7-23)26(33)31-18-16-30(17-19-31)15-14-29-12-4-5-13-29/h1-3,6-11,20H,4-5,12-19H2/p+1